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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H50O
Molecular Weight 414.7067
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5.BETA.-STIGMASTAN-3-ONE

SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C

InChI

InChIKey=BVVFRHKBULZQCQ-OWQQBRNCSA-N
InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-22,24-27H,7-18H2,1-6H3/t20-,21-,22-,24+,25-,26+,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H50O
Molecular Weight 414.7067
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:14:42 GMT 2025
Edited
by admin
on Mon Mar 31 22:14:42 GMT 2025
Record UNII
K83G7M9YY9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5R,8R,9S,10S,13R,14S,17R)-17-((2R,5R)-5-ETHYL-6-METHYLHEPTAN-2-YL)-10,13-DIMETHYLHEXADECAHYDRO-3H-CYCLOPENTA(A)PHENANTHREN-3-ONE
Preferred Name English
5.BETA.-STIGMASTAN-3-ONE
Systematic Name English
STIGMASTAN-3-ONE, (5.BETA.)-
Systematic Name English
24.BETA.-ETHYL-5.BETA.-CHOLESTAN-3-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
132452056
Created by admin on Mon Mar 31 22:14:42 GMT 2025 , Edited by admin on Mon Mar 31 22:14:42 GMT 2025
PRIMARY
FDA UNII
K83G7M9YY9
Created by admin on Mon Mar 31 22:14:42 GMT 2025 , Edited by admin on Mon Mar 31 22:14:42 GMT 2025
PRIMARY
CAS
107079-97-0
Created by admin on Mon Mar 31 22:14:42 GMT 2025 , Edited by admin on Mon Mar 31 22:14:42 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> METABOLITE