U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H44O9
Molecular Weight 548.665
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYMARIN

SMILES

[H][C@@]1(C[C@H](OC)[C@H](O)[C@@H](C)O1)O[C@H]2CC[C@]3(C=O)[C@@]4([H])CC[C@]5(C)[C@H](CC[C@]5(O)[C@]4([H])CC[C@]3(O)C2)C6=CC(=O)OC6

InChI

InChIKey=XQCGNURMLWFQJR-ZNDDOCHDSA-N
InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CYMARIN
MART.   MI   WHO-DD  
Common Name English
CYMARIN [MI]
Common Name English
Cymarin [WHO-DD]
Common Name English
CYMARINE
Common Name English
K-STROPHANTHIN-ALPHA
Common Name English
K-STROPHANTHIN-.ALPHA.
Common Name English
3.BETA.-((2,6-DIDEOXY-3-O-METHYL-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-5,14-DIHYDROXY-19-OXO-5.BETA.,14.BETA.-CARD-20(22)-ENOLIDE
Common Name English
NSC-7522
Code English
CYMARIN [MART.]
Common Name English
Classification Tree Code System Code
WHO-ATC C01AC03
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
WHO-VATC QC01AC03
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
Code System Code Type Description
MESH
D003529
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-087-9
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
DRUG BANK
DB13240
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID20871714
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
MERCK INDEX
m4028
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY Merck Index
CAS
508-77-0
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
WIKIPEDIA
CYMARIN
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
ChEMBL
CHEMBL1651908
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
NSC
7522
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
PUBCHEM
441853
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
FDA UNII
UK3LS8435E
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY
DRUG CENTRAL
4408
Created by admin on Fri Dec 15 18:50:35 UTC 2023 , Edited by admin on Fri Dec 15 18:50:35 UTC 2023
PRIMARY