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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H38O5
Molecular Weight 454.5983
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WITHANOLIDE B

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H]4O[C@@H]4[C@@]5(O)CC=CC(=O)[C@]5(C)[C@@]3([H])CC[C@]12C)[C@H](C)[C@@]6([H])CC(C)=C(C)C(=O)O6

InChI

InChIKey=ZTEVDTFJUUJBLP-MBMSZCMESA-N
InChI=1S/C28H38O5/c1-14-13-20(32-25(30)15(14)2)16(3)17-8-9-18-22-19(10-12-26(17,18)4)27(5)21(29)7-6-11-28(27,31)24-23(22)33-24/h6-7,16-20,22-24,31H,8-13H2,1-5H3/t16-,17+,18-,19-,20+,22-,23-,24-,26+,27-,28-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
WITHANOLIDE B
Common Name English
WITHANOLIDE B (CONSTITUENT OF ASHWAGANDHA ROOT) [DSC]
Common Name English
(5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-5-HYDROXY-6,7:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE
Systematic Name English
LYCIUM SUBSTANCE B
Common Name English
ERGOSTA-2,24-DIEN-26-OIC ACID, 6,7-EPOXY-5,22-DIHYDROXY-1-OXO-, .DELTA.-LACTONE, (5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
14236711
Created by admin on Sat Dec 16 08:05:31 GMT 2023 , Edited by admin on Sat Dec 16 08:05:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID20205575
Created by admin on Sat Dec 16 08:05:31 GMT 2023 , Edited by admin on Sat Dec 16 08:05:31 GMT 2023
PRIMARY
FDA UNII
9YU877VU8K
Created by admin on Sat Dec 16 08:05:31 GMT 2023 , Edited by admin on Sat Dec 16 08:05:31 GMT 2023
PRIMARY
CAS
56973-41-2
Created by admin on Sat Dec 16 08:05:31 GMT 2023 , Edited by admin on Sat Dec 16 08:05:31 GMT 2023
PRIMARY