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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O8
Molecular Weight 534.6814
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SARMENTOCYMARIN

SMILES

CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3[C@H](O)C[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C2)O[C@H](C)[C@@H]1O

InChI

InChIKey=LEORFFVSVUWAEY-VKZDBDJISA-N
InChI=1S/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18-,19+,20-,21-,22-,23+,25+,26-,27+,28+,29-,30+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CARD-20(22)-ENOLIDE, 3-((2,6-DIDEOXY-3-O-METHYL-.BETA.-D-XYLO-HEXOPYRANOSYL)OXY)-11,14-DIHYDROXY-, (3.BETA.,5.BETA.,11.ALPHA.)-
Preferred Name English
SARMENTOCYMARIN
Common Name English
Code System Code Type Description
CAS
98633-61-5
Created by admin on Mon Mar 31 20:39:18 GMT 2025 , Edited by admin on Mon Mar 31 20:39:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID70913153
Created by admin on Mon Mar 31 20:39:18 GMT 2025 , Edited by admin on Mon Mar 31 20:39:18 GMT 2025
PRIMARY
FDA UNII
50D3OM9Y02
Created by admin on Mon Mar 31 20:39:18 GMT 2025 , Edited by admin on Mon Mar 31 20:39:18 GMT 2025
PRIMARY
PUBCHEM
6914702
Created by admin on Mon Mar 31 20:39:18 GMT 2025 , Edited by admin on Mon Mar 31 20:39:18 GMT 2025
PRIMARY