U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40O3
Molecular Weight 412.6047
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (25R)-Spirost-5-en-3-one

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2

InChI

InChIKey=ZQHLKKFDMULTFL-CLGLNXEMSA-N
InChI=1S/C27H40O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,20-24H,6-15H2,1-4H3/t16-,17+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H40O3
Molecular Weight 412.6047
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:15:53 GMT 2023
Edited
by admin
on Sat Dec 16 19:15:53 GMT 2023
Record UNII
YTC4EC922A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(25R)-Spirost-5-en-3-one
Systematic Name English
Spirost-5-en-3-one, (25R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11872675
Created by admin on Sat Dec 16 19:15:53 GMT 2023 , Edited by admin on Sat Dec 16 19:15:53 GMT 2023
PRIMARY
CAS
20817-62-3
Created by admin on Sat Dec 16 19:15:53 GMT 2023 , Edited by admin on Sat Dec 16 19:15:53 GMT 2023
PRIMARY
FDA UNII
YTC4EC922A
Created by admin on Sat Dec 16 19:15:53 GMT 2023 , Edited by admin on Sat Dec 16 19:15:53 GMT 2023
PRIMARY