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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H28O2
Molecular Weight 312.4458
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of GUGGULSTERONE, (E)-

SMILES

[H][C@@]12CC(=O)\C(=C\C)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=WDXRGPWQVHZTQJ-AUKWTSKRSA-N
InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4-/t15-,17+,18+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H28O2
Molecular Weight 312.4458
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:43:12 UTC 2023
Edited
by admin
on Fri Dec 15 19:43:12 UTC 2023
Record UNII
9B259YE66O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GUGGULSTERONE, (E)-
Common Name English
(-)-(E)-GUGGULSTERONE
Common Name English
E-GUGGULSTERONE
Common Name English
4,17(20)-(TRANS)-PREGNADIENE-3,16-DIONE
Common Name English
GUGGULSTERONE E-FORM [MI]
Common Name English
PREGNA-4,17(20)-DIENE-3,16-DIONE, (17E)-
Systematic Name English
GUGGULSTERONE E (CONSTITUENT OF GUGGUL) [DSC]
Common Name English
TRANS-GUGGULSTERONE
Common Name English
GUGGULSTERONE E-FORM
MI  
Common Name English
Classification Tree Code System Code
DSLD 2405 (Number of products:11)
Created by admin on Fri Dec 15 19:43:12 UTC 2023 , Edited by admin on Fri Dec 15 19:43:12 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID6033538
Created by admin on Fri Dec 15 19:43:12 UTC 2023 , Edited by admin on Fri Dec 15 19:43:12 UTC 2023
PRIMARY
PUBCHEM
6439929
Created by admin on Fri Dec 15 19:43:12 UTC 2023 , Edited by admin on Fri Dec 15 19:43:12 UTC 2023
PRIMARY
CAS
39025-24-6
Created by admin on Fri Dec 15 19:43:12 UTC 2023 , Edited by admin on Fri Dec 15 19:43:12 UTC 2023
PRIMARY
FDA UNII
9B259YE66O
Created by admin on Fri Dec 15 19:43:12 UTC 2023 , Edited by admin on Fri Dec 15 19:43:12 UTC 2023
PRIMARY
MERCK INDEX
m5878
Created by admin on Fri Dec 15 19:43:12 UTC 2023 , Edited by admin on Fri Dec 15 19:43:12 UTC 2023
PRIMARY Merck Index