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 WITHANONE

SMILES

[H][C@@]12CC[C@](O)([C@H](C)[C@@]3([H])CC(C)=C(C)C(=O)O3)[C@@]1(C)CC[C@@]4([H])[C@@]2([H])[C@@H]5O[C@@H]5[C@@]6(O)CC=CC(=O)[C@]46C

InChI

InChIKey=FAZIYUIDUNHZRG-PCTWTJKKSA-N
InChI=1S/C28H38O6/c1-14-13-19(33-24(30)15(14)2)16(3)27(31)12-9-17-21-18(8-11-25(17,27)4)26(5)20(29)7-6-10-28(26,32)23-22(21)34-23/h6-7,16-19,21-23,31-32H,8-13H2,1-5H3/t16-,17+,18+,19-,21+,22+,23+,25+,26+,27+,28+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
WITHANONE
Common Name English
WITHANONE (CONSTITUENT OF ASHWAGANDHA ROOT) [DSC]
Common Name English
(5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-5,17-DIHYDROXY-6,7:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE
Systematic Name English
NSC-179884
Code English
Code System Code Type Description
FDA UNII
GY036XA633
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
27570-38-3
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
PUBCHEM
21679027
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
DTXSID40950237
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
NSC
179884
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