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

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H62O15
Molecular Weight 782.9113
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of WITHANOSIDE IV

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@H](C[C@H](O)[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]5([H])O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)[C@H](C)[C@@]7([H])CC(C)=C(CO)C(=O)O7

InChI

InChIKey=VUQQGHSDHGOYRH-IFUSOADVSA-N
InChI=1S/C40H62O15/c1-17-11-26(53-36(50)22(17)14-41)18(2)23-7-8-24-21-6-5-19-12-20(13-29(43)40(19,4)25(21)9-10-39(23,24)3)52-38-35(49)33(47)31(45)28(55-38)16-51-37-34(48)32(46)30(44)27(15-42)54-37/h5,18,20-21,23-35,37-38,41-49H,6-16H2,1-4H3/t18-,20+,21-,23+,24-,25-,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,37+,38+,39+,40-/m0/s1

HIDE SMILES / InChI

Approval Year

Patents

Patents

Name Type Language
WITHANOSIDE IV
USP-RS  
Common Name English
WITHANOSIDE IV [USP-RS]
Common Name English
WITHANOSIDE IV, (+)-
Common Name English
ERGOSTA-5,24-DIEN-26-OIC ACID, 3-((6-O-.BETA.-D-GLUCOPYRANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)-1,22,27-TRIHYDROXY-, .SIGMA.-LACTONE, (1.ALPHA.,3.BETA.,22R)-
Systematic Name English
WITHANOSIDE IV (CONSTITUENT OF ASHWAGANDHA ROOT) [DSC]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40746874
Created by admin on Sat Dec 16 03:10:41 GMT 2023 , Edited by admin on Sat Dec 16 03:10:41 GMT 2023
PRIMARY
CAS
362472-81-9
Created by admin on Sat Dec 16 03:10:41 GMT 2023 , Edited by admin on Sat Dec 16 03:10:41 GMT 2023
PRIMARY
RS_ITEM_NUM
1719532
Created by admin on Sat Dec 16 03:10:41 GMT 2023 , Edited by admin on Sat Dec 16 03:10:41 GMT 2023
PRIMARY
PUBCHEM
71312551
Created by admin on Sat Dec 16 03:10:41 GMT 2023 , Edited by admin on Sat Dec 16 03:10:41 GMT 2023
PRIMARY
FDA UNII
156GUP486T
Created by admin on Sat Dec 16 03:10:41 GMT 2023 , Edited by admin on Sat Dec 16 03:10:41 GMT 2023
PRIMARY