List of API Suppliers of Calcium Sennoside API listed on PharmaCompass.com

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Chemistry

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Also known as:
Molecular Formula
C42H36CaO18
Molecular Weight
868.8  g/mol
InChI Key
WWBLQFQARJRROH-WTWBKABESA-L

Calcium Sennoside
1 2D Structure

Calcium Sennoside

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;(9R)-9-[(9R)-2-carboxylato-4-hydroxy-10-oxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-anthracene-2-carboxylate
2.1.2 InChI
InChI=1S/C42H38O18.Ca/c43-11-23-31(47)35(51)37(53)39(59-23)17-5-1-3-15-25(19-7-13(41(55)56)9-21(45)29(19)33(49)27(15)17)26-16-4-2-6-18(40-38(54)36(52)32(48)24(12-44)60-40)28(16)34(50)30-20(26)8-14(42(57)58)10-22(30)46;/h1-10,23-26,31-32,35-40,43-48,51-54H,11-12H2,(H,55,56)(H,57,58);/q;+2/p-2/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,39+,40+;/m1./s1
2.1.3 InChI Key
WWBLQFQARJRROH-WTWBKABESA-L
2.1.4 Canonical SMILES
C1=CC2=C(C(=C1)C3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)C7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)[O-])C=C(C=C4O)C(=O)[O-].[Ca+2]
2.1.5 Isomeric SMILES
C1=CC2=C(C(=C1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)[O-])C=C(C=C4O)C(=O)[O-].[Ca+2]
2.2 Create Date
2013-05-09
3 Chemical and Physical Properties
Molecular Weight 868.8 g/mol
Molecular Formula C42H36CaO18
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count4
Exact Mass868.1527551 g/mol
Monoisotopic Mass868.1527551 g/mol
Topological Polar Surface Area335 Ų
Heavy Atom Count61
Formal Charge0
Complexity1520
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API Reference Price

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07-Jan-2021
21-Aug-2024
KGS
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Total Value (USD)

Quantity (KGS) & Unit rate (USD/KGS) over time

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