Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

REF. STANDARDS & IMPURITIES

2 Others

otherSolutions
2 Others

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Cimicifugoside m, 256925-92-5, Cimigenol-3-o-alpha-l-arabinoside, 4dc28j6r1k, (2s,3r,4s,5s)-2-[[(1s,2r,3s,4r,7r,9s,12r,14s,17r,18r,19r,21r,22s)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol, Unii-4dc28j6r1k

Molecular Formula

C₃₅H₅₆O₉

Molecular Weight

620.8 g/mol

InChI Key

BTPYUWOBZFGKAI-BKJHYQRZSA-N

FDA UNII

4DC28J6R1K

cimiracemoside c is a natural product found in Actaea dahurica, Actaea elata, and other organisms with data available.

1 2D Structure

Cimicifugoside M

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,3R,4S,5S)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

2.1.2 InChI

InChI=1S/C35H56O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h17-28,36-40H,8-16H2,1-7H3/t17-,18+,19-,20+,21+,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1

2.1.3 InChI Key

BTPYUWOBZFGKAI-BKJHYQRZSA-N

2.1.4 Canonical SMILES

CC1CC2C(OC3(C1C4(CCC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)OC8C(C(C(CO8)O)O)O)C)O2)C(C)(C)O

2.1.5 Isomeric SMILES

C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)C)O2)C(C)(C)O

2.2 Other Identifiers

2.2.1 UNII

4DC28J6R1K

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Cimigenol 3-o-alpha-l-arabinopyranoside

2. Cimigenol 3aap

2.3.2 Depositor-Supplied Synonyms

1. Cimicifugoside M

2. 256925-92-5

3. Cimigenol-3-o-alpha-l-arabinoside

4. 4dc28j6r1k

5. (2s,3r,4s,5s)-2-[[(1s,2r,3s,4r,7r,9s,12r,14s,17r,18r,19r,21r,22s)-2-hydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol

6. Unii-4dc28j6r1k

7. Cimigenol 3-o-alpha-l-arabinoside

8. Cimigenol 3-o-alpha-l-arabinopyranoside

9. Schembl4921749

10. Zinc96023692

11. Akos032948479

12. Akos037514588

13. Alpha-l-arabinopyranoside, (3beta,15alpha,16alpha,23r,24s)-16,23:16,24-diepoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl

14. Cimigenol 3-o-.alpha.-l-arabinoside

15. Cimigenol-3-o-.alpha.-l-arabinoside

16. Cimigenol 3-o-.alpha.-l-arabinopyranoside

17. Q27259441

18. Cimigenol 3-o-.alpha.-l-arabinopyranoside (constituent Of Black Cohosh) [dsc]

19. .alpha.-l-arabinopyranoside, (3.beta.,15.alpha.,16.alpha.,23r,24s)-16,23:16,24-diepoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl

2.4 Create Date

2007-02-10

3 Chemical and Physical Properties

Molecular Formula	C₃₅H₅₆O₉
Molecular Weight	620.8 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Exact Mass	620.39243336 g/mol
Monoisotopic Mass	620.39243336 g/mol
Topological Polar Surface Area	138 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1210
Isotope Atom Count	0
Defined Atom Stereocenter Count	17
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1