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Synopsis

ACTIVE PHARMA INGREDIENTS

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USDMF

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KDMF

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NDC API

NDC API

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VMF

NDC API

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FDF

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Chemistry

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Also known as: Chembl390537
Molecular Formula
C46H74O20S
Molecular Weight
979.1  g/mol
InChI Key
SKFWOYHZBNAJGA-DKZUISOASA-N

Bacopa Monnieri
[(2R,3S,4S,5R,6R)-6-{[(2R,3R,4S,5S)-3-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5-hydroxy-2-{[(1R,2R,5R,7S,10R,11R,14S,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0,.0,.0,.0,]tricosan-7-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxysulfonic acid is a natural product found in Bacopa monnieri with data available.
1 2D Structure

Bacopa Monnieri

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-[[(1R,2R,5R,7S,10R,11R,14S,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
2.1.2 InChI
InChI=1S/C46H74O20S/c1-21(2)14-22-16-59-46-19-45(20-60-46)23(37(46)44(22,7)54)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)64-40-36(66-38-33(52)30(49)25(15-47)62-38)35(24(48)17-58-40)65-39-34(53)32(51)31(50)26(63-39)18-61-67(55,56)57/h14,22-40,47-54H,8-13,15-20H2,1-7H3,(H,55,56,57)/t22-,23+,24+,25+,26-,27+,28-,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,40-,42+,43-,44+,45-,46-/m1/s1
2.1.3 InChI Key
SKFWOYHZBNAJGA-DKZUISOASA-N
2.1.4 Canonical SMILES
CC(=CC1COC23CC4(CO2)C(C3C1(C)O)CCC5C4(CCC6C5(CCC(C6(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)COS(=O)(=O)O)O)O)O)OC9C(C(C(O9)CO)O)O)C)C)C
2.1.5 Isomeric SMILES
CC(=C[C@@H]1CO[C@]23C[C@@]4(CO2)[C@H]([C@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)COS(=O)(=O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Chembl390537

2.3 Create Date
2009-11-19
3 Chemical and Physical Properties
Molecular Weight 979.1 g/mol
Molecular Formula C46H74O20S
XLogP31.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count20
Rotatable Bond Count11
Exact Mass978.44941592 g/mol
Monoisotopic Mass978.44941592 g/mol
Topological Polar Surface Area308 Ų
Heavy Atom Count67
Formal Charge0
Complexity1970
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API SUPPLIERS

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01

Octavius Pharma Pvt. Ltd

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothOctavius has been empowering lives since 1980 by providing quality products like DC granules, APIs and FDFs.

Flag India
Digital Content Digital Content
USDMF CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
Octavius Pharma

02

PK Components

Poland

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Compamed
Not Confirmed
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03

Beloorbayir Biotech

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

Compamed
Not Confirmed
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Listed Suppliers

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01

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothOctavius has been empowering lives since 1980 by providing quality products like DC granules, APIs and FDFs.

Flag India
Digital Content Digital Content

Bacopa Monnieri

About the Company : Octavius Pharma is a global leader in Directly Compressible Granules with over 40 years of experience in Formulation development, manufacturing and commercialization. It offers a w...

Octavius Pharma is a global leader in Directly Compressible Granules with over 40 years of experience in Formulation development, manufacturing and commercialization. It offers a wide range of products such as tablets, capsules, syrups and ointments. Its portfolio includes finished dosage formulations, herbal/food supplements and APIs. It exports bulk drugs, finished formulations and APIs, while maintaining quality in compliance with WHO GMP norms. With an experienced team, Octavius Pharma provides consulting services for formulation development and marketing. Octavius exports to LATAM, Middle East, African, Asian and CIS countries.
Octavius Pharma

02

Compamed
Not Confirmed
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Compamed
Not Confirmed

Bacopa Monnieri

About the Company : The company is in the business of manufacturing and marketing botanical extracts and nutraceuticals formulations to both domestic and global customers. The products include health/...

The company is in the business of manufacturing and marketing botanical extracts and nutraceuticals formulations to both domestic and global customers. The products include health/dietary supplements for improving the overall wellness/prevention of diseases, ingredients for functional foods, food colors, and extracts. The company exports to around 35 countries in Europe, US, and Japan, with strong relations with global majors. The company has production facilities near Bengaluru (Peenya, Tumkur, Bidadi), Bhatkal, Hyderabad and Pune.
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03

PK Components

Poland
Compamed
Not Confirmed
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PK Components

Poland
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Compamed
Not Confirmed

Bacopa Monnieri

About the Company : PK Components is a Polish distributor of raw materials for the production of dietary supplements and for the food industry. Our hallmark is a stable market position, customer trust...

PK Components is a Polish distributor of raw materials for the production of dietary supplements and for the food industry. Our hallmark is a stable market position, customer trust, and a comprehensive offer combining consulting and sales into a reliable business partnership. We supply the highest quality raw materials for the production of dietary supplements and food.
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