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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H48O
Molecular Weight 412.6919
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of STIGMASTENONE

SMILES

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

InChI

InChIKey=RTLUSWHIKFIQFU-DALQDKCESA-N
InChI=1S/C29H48O/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/h8-9,19-22,24-27H,7,10-18H2,1-6H3/b9-8+/t20-,21-,22-,24+,25-,26+,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H48O
Molecular Weight 412.6919
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Antituberculosis cycloartane triterpenoids from Radermachera boniana.
2011 May 27
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 03:51:10 UTC 2021
Edited
by admin
on Sat Jun 26 03:51:10 UTC 2021
Record UNII
85907B49EV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
STIGMASTENONE
Systematic Name English
(5R,8R,9S,10S,13R,14S,17R)-17-((2R,5S,E)-5-ETHYL-6-METHYLHEPT-3-EN-2-YL)-10,13-DIMETHYLHEXADECAHYDRO-3H-CYCLOPENTA(A)PHENANTHREN-3-ONE
Common Name English
24.BETA.-ETHYL-5.BETA.-CHOLEST-22-EN-3-ONE
Systematic Name English
NSC-63551
Code English
(5R,8R,9S,10S,13R,14S,17R)-17-((E,2R,5S)-5-ETHYL-6-METHYLHEPT-3-EN-2-YL)-10,13-DIMETHYL-1,2,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA(A)PHENANTHREN-3-ONE
Common Name English
(5R,8R,9S,10S,13R,14S,17R)-17-((E,2R,5S)-5-ETHYL-6-METHYL-HEPT-3-EN-2-YL)-10,13-DIMETHYL-1,2,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDROCYCLOPENTA(A)PHENANTHREN-3-ONE
Common Name English
(5.BETA.,22E)-STIGMAST-22-EN-3-ONE
Systematic Name English
STIGMAST-22-EN-3-ONE, (5.BETA.,22E)-
Systematic Name English
5.BETA.-STIGMAST-22-EN-3-ONE
Systematic Name English
Code System Code Type Description
CAS
4736-55-4
Created by admin on Sat Jun 26 03:51:11 UTC 2021 , Edited by admin on Sat Jun 26 03:51:11 UTC 2021
PRIMARY
FDA UNII
85907B49EV
Created by admin on Sat Jun 26 03:51:11 UTC 2021 , Edited by admin on Sat Jun 26 03:51:11 UTC 2021
PRIMARY
PUBCHEM
5356634
Created by admin on Sat Jun 26 03:51:11 UTC 2021 , Edited by admin on Sat Jun 26 03:51:11 UTC 2021
PRIMARY
Related Record Type Details
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