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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H32O
Molecular Weight 300.4782
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pregna-5,16-dien-3-ol, (3?)-

SMILES

CCC1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI

InChIKey=TWAAQXYPTXWBGP-ZWJSTQBLSA-N
InChI=1S/C21H32O/c1-4-14-6-8-18-17-7-5-15-13-16(22)9-11-21(15,3)19(17)10-12-20(14,18)2/h5-6,16-19,22H,4,7-13H2,1-3H3/t16-,17-,18-,19-,20+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H32O
Molecular Weight 300.4782
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:11:49 GMT 2025
Edited
by admin
on Wed Apr 02 19:11:49 GMT 2025
Record UNII
DA5KEE8NCB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pregna-5,16-dien-3-ol, (3?)-
Systematic Name English
(3?)-Pregna-5,16-dien-3-ol
Preferred Name English
Code System Code Type Description
FDA UNII
DA5KEE8NCB
Created by admin on Wed Apr 02 19:11:49 GMT 2025 , Edited by admin on Wed Apr 02 19:11:49 GMT 2025
PRIMARY
CAS
2118-31-2
Created by admin on Wed Apr 02 19:11:49 GMT 2025 , Edited by admin on Wed Apr 02 19:11:49 GMT 2025
PRIMARY
PUBCHEM
23239843
Created by admin on Wed Apr 02 19:11:49 GMT 2025 , Edited by admin on Wed Apr 02 19:11:49 GMT 2025
PRIMARY