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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H42O5
Molecular Weight 470.6408
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GENTROGENIN ACETATE

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC(=O)[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2)OC(C)=O

InChI

InChIKey=MSNYSLBOIHUYMS-URBKRRPPSA-N
InChI=1S/C29H42O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h6,16-17,20-24,26H,7-15H2,1-5H3/t16-,17+,20+,21-,22+,23+,24+,26+,27+,28-,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H42O5
Molecular Weight 470.6408
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:01:17 GMT 2023
Edited
by admin
on Sat Dec 16 10:01:17 GMT 2023
Record UNII
B94OAH0QXQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GENTROGENIN ACETATE
MI  
Common Name English
BOTOGENIN, ACETATE
Common Name English
SPIROST-5-EN-12-ONE, 3-(ACETYLOXY)-, (3.BETA.,25R)-
Systematic Name English
GENTROGENIN ACETATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
B94OAH0QXQ
Created by admin on Sat Dec 16 10:01:17 GMT 2023 , Edited by admin on Sat Dec 16 10:01:17 GMT 2023
PRIMARY
MERCK INDEX
m200
Created by admin on Sat Dec 16 10:01:17 GMT 2023 , Edited by admin on Sat Dec 16 10:01:17 GMT 2023
PRIMARY Merck Index
CAS
5996-01-0
Created by admin on Sat Dec 16 10:01:17 GMT 2023 , Edited by admin on Sat Dec 16 10:01:17 GMT 2023
PRIMARY
PUBCHEM
86278160
Created by admin on Sat Dec 16 10:01:17 GMT 2023 , Edited by admin on Sat Dec 16 10:01:17 GMT 2023
PRIMARY