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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H56O12
Molecular Weight 656.8012
Optical Activity UNSPECIFIED
Defined Stereocenters 18 / 18
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARATUBERSIDE A

SMILES

CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]5(C)[C@H](CC[C@]45O)C(C)=O)C2)O[C@H](C)[C@H]1O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O

InChI

InChIKey=WXLJRYSLYQBMGF-RUFGMRSTSA-N
InChI=1S/C34H56O12/c1-16(36)20-10-13-34(41)22-7-6-18-14-19(8-11-32(18,3)21(22)9-12-33(20,34)4)44-31-27(40)29(42-5)28(17(2)43-31)46-30-26(39)25(38)24(37)23(15-35)45-30/h17-31,35,37-41H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22-,23-,24+,25+,26-,27-,28-,29-,30+,31+,32+,33-,34+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PREGNAN-20-ONE, 3-((6-DEOXY-4-O-.BETA.-D-GLUCOPYRANOSYL-3-O-METHYL-.BETA.-D-GALACTOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,14.BETA.)-
Preferred Name English
CARATUBERSIDE A
Common Name English
Code System Code Type Description
CAS
119767-17-8
Created by admin on Tue Apr 01 16:50:52 GMT 2025 , Edited by admin on Tue Apr 01 16:50:52 GMT 2025
PRIMARY
FDA UNII
46K1O86XNH
Created by admin on Tue Apr 01 16:50:52 GMT 2025 , Edited by admin on Tue Apr 01 16:50:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID20923106
Created by admin on Tue Apr 01 16:50:52 GMT 2025 , Edited by admin on Tue Apr 01 16:50:52 GMT 2025
PRIMARY
PUBCHEM
138393966
Created by admin on Tue Apr 01 16:50:52 GMT 2025 , Edited by admin on Tue Apr 01 16:50:52 GMT 2025
PRIMARY