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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

CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C[C@@H]3O[C@]34[C@@H]2[C@H](OC(C)=O)C(=O)[C@]5(C)[C@H](CC[C@]45O)C6=CC(=O)OC6)C1

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
CARD-20(22)-ENOLIDE, 3,11-BIS(ACETYLOXY)-7,8-EPOXY-14-HYDROXY-12-OXO-, (3.BETA.,5.BETA.,7.BETA.,11.ALPHA.)-
Preferred Name English
5.BETA.-CARD-20(22)-ENOLIDE, 7.BETA.,8-EPOXY-3.BETA.,11.ALPHA.,14-TRIHYDROXY-12-OXO-, 3,11-DIACETATE
Systematic Name English
Code System Code Type Description
FDA UNII
XF4A8HRV9A
Created by admin on Mon Mar 31 22:44:07 GMT 2025 , Edited by admin on Mon Mar 31 22:44:07 GMT 2025
PRIMARY
PUBCHEM
162368350
Created by admin on Mon Mar 31 22:44:07 GMT 2025 , Edited by admin on Mon Mar 31 22:44:07 GMT 2025
PRIMARY
CAS
22146-04-9
Created by admin on Mon Mar 31 22:44:07 GMT 2025 , Edited by admin on Mon Mar 31 22:44:07 GMT 2025
PRIMARY