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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H34O9
Molecular Weight 502.5535
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5.BETA.-CARD-20(22)-ENOLIDE, 7.BETA.,8-EPOXY-3.BETA.,11.ALPHA.,14-TRIHYDROXY-12-OXO-, 3,11-DIACETATE

SMILES

[H][C@]12C[C@@H]3O[C@]34[C@]([H])([C@H](OC(C)=O)C(=O)[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)[C@@]1(C)CC[C@@H](C2)OC(C)=O

InChI

InChIKey=TXILYBTWYAOVKY-VFQGEKNGSA-N
InChI=1S/C27H34O9/c1-13(28)34-17-5-7-24(3)16(10-17)11-19-27(36-19)22(24)21(35-14(2)29)23(31)25(4)18(6-8-26(25,27)32)15-9-20(30)33-12-15/h9,16-19,21-22,32H,5-8,10-12H2,1-4H3/t16-,17-,18+,19-,21-,22+,24-,25-,26+,27-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
5.BETA.-CARD-20(22)-ENOLIDE, 7.BETA.,8-EPOXY-3.BETA.,11.ALPHA.,14-TRIHYDROXY-12-OXO-, 3,11-DIACETATE
Systematic Name English
CARD-20(22)-ENOLIDE, 3,11-BIS(ACETYLOXY)-7,8-EPOXY-14-HYDROXY-12-OXO-, (3.BETA.,5.BETA.,7.BETA.,11.ALPHA.)-
Systematic Name English
Code System Code Type Description
FDA UNII
XF4A8HRV9A
Created by admin on Sat Dec 16 09:34:43 GMT 2023 , Edited by admin on Sat Dec 16 09:34:43 GMT 2023
PRIMARY
PUBCHEM
162368350
Created by admin on Sat Dec 16 09:34:43 GMT 2023 , Edited by admin on Sat Dec 16 09:34:43 GMT 2023
PRIMARY
CAS
22146-04-9
Created by admin on Sat Dec 16 09:34:43 GMT 2023 , Edited by admin on Sat Dec 16 09:34:43 GMT 2023
PRIMARY