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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38O6
Molecular Weight 470.5977
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WITHAFERIN A

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@]3([H])[C@@]6(C)C(=O)C=C[C@H](O)[C@@]16O2

InChI

InChIKey=DBRXOUCRJQVYJQ-CKNDUULBSA-N
InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
WITHAFERIN A
MI  
Common Name English
WITHAFERIN A [MI]
Common Name English
NSC-273757
Code English
NSC-101088
Code English
(4.BETA.,5.BETA.,6.BETA.,22R)-4,27-DIHYDROXY-5,6:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE
Systematic Name English
WITHAFERIN A (CONSTITUENT OF ASHWAGANDHA ROOT) [DSC]
Common Name English
Code System Code Type Description
FDA UNII
L6DO3QW4K5
Created by admin on Sat Dec 16 08:05:30 UTC 2023 , Edited by admin on Sat Dec 16 08:05:30 UTC 2023
PRIMARY
MERCK INDEX
m11516
Created by admin on Sat Dec 16 08:05:30 UTC 2023 , Edited by admin on Sat Dec 16 08:05:30 UTC 2023
PRIMARY Merck Index
CAS
5119-48-2
Created by admin on Sat Dec 16 08:05:30 UTC 2023 , Edited by admin on Sat Dec 16 08:05:30 UTC 2023
PRIMARY
EPA CompTox
DTXSID10965459
Created by admin on Sat Dec 16 08:05:30 UTC 2023 , Edited by admin on Sat Dec 16 08:05:30 UTC 2023
PRIMARY
PUBCHEM
265237
Created by admin on Sat Dec 16 08:05:30 UTC 2023 , Edited by admin on Sat Dec 16 08:05:30 UTC 2023
PRIMARY
CHEBI
69120
Created by admin on Sat Dec 16 08:05:30 UTC 2023 , Edited by admin on Sat Dec 16 08:05:30 UTC 2023
PRIMARY
WIKIPEDIA
Withaferin A
Created by admin on Sat Dec 16 08:05:30 UTC 2023 , Edited by admin on Sat Dec 16 08:05:30 UTC 2023
PRIMARY
NSC
273757
Created by admin on Sat Dec 16 08:05:30 UTC 2023 , Edited by admin on Sat Dec 16 08:05:30 UTC 2023
PRIMARY
NSC
101088
Created by admin on Sat Dec 16 08:05:30 UTC 2023 , Edited by admin on Sat Dec 16 08:05:30 UTC 2023
PRIMARY