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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 WITHANOLIDE A

SMILES

[H][C@@]12CC[C@]([H])([C@@](C)(O)[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=DXWHOKCXBGLTMQ-SFQAJKIESA-N
InChI=1S/C28H38O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,16-18,20-23,31-32H,8-13H2,1-5H3/t16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H38O6
Molecular Weight 470.5977
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:30:10 GMT 2023
Edited
by admin
on Sat Dec 16 08:30:10 GMT 2023
Record UNII
V903234S8G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
WITHANOLIDE A
USP-RS  
Common Name English
WITHANOLIDE A, (+)-
Common Name English
WITHANOLIDE A (CONSTITUENT OF ASHWAGANDHA ROOT) [DSC]
Common Name English
WITHANOLIDE A [USP-RS]
Common Name English
(5.ALPHA.,6.ALPHA.,7.ALPHA.,22R)-5,20-DIHYDROXY-6,7:22,26-DIEPOXYERGOSTA-2,24-DIENE-1,26-DIONE
Systematic Name English
Code System Code Type Description
CAS
32911-62-9
Created by admin on Sat Dec 16 08:30:10 GMT 2023 , Edited by admin on Sat Dec 16 08:30:10 GMT 2023
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RS_ITEM_NUM
1719500
Created by admin on Sat Dec 16 08:30:10 GMT 2023 , Edited by admin on Sat Dec 16 08:30:10 GMT 2023
PRIMARY
FDA UNII
V903234S8G
Created by admin on Sat Dec 16 08:30:10 GMT 2023 , Edited by admin on Sat Dec 16 08:30:10 GMT 2023
PRIMARY
EPA CompTox
DTXSID70461487
Created by admin on Sat Dec 16 08:30:10 GMT 2023 , Edited by admin on Sat Dec 16 08:30:10 GMT 2023
PRIMARY
PUBCHEM
11294368
Created by admin on Sat Dec 16 08:30:10 GMT 2023 , Edited by admin on Sat Dec 16 08:30:10 GMT 2023
PRIMARY