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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H42O4
Molecular Weight 430.62
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CONVALLAMAROGENIN

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]16CCC(=C)CO6

InChI

InChIKey=XLHFBXMTUNORSV-ZENYHQJXSA-N
InChI=1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h16-24,28-29H,1,5-14H2,2-4H3/t16-,17+,18+,19+,20-,21-,22-,23+,24-,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H42O4
Molecular Weight 430.62
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 12 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:40:29 GMT 2025
Edited
by admin
on Mon Mar 31 22:40:29 GMT 2025
Record UNII
IG4CAH3DZK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CONVALLAMAROGENIN [MI]
Preferred Name English
CONVALLAMAROGENIN
MI  
Common Name English
5.BETA.,20.BETA.-SPIROST-25(27)-ENE-1.BETA.,3.BETA.-DIOL
Systematic Name English
SPIROST-25(27)-ENE-1,3-DIOL, (1.BETA.,3.BETA.,5.BETA.)-
Systematic Name English
1.BETA.,3.BETA.-DIHYDROXY-5.BETA.-SPIROST-25(27)-ENE
Systematic Name English
CONVALLAMAROGENINE
Common Name English
Code System Code Type Description
CAS
16683-27-5
Created by admin on Mon Mar 31 22:40:29 GMT 2025 , Edited by admin on Mon Mar 31 22:40:29 GMT 2025
PRIMARY
EPA CompTox
DTXSID70331651
Created by admin on Mon Mar 31 22:40:29 GMT 2025 , Edited by admin on Mon Mar 31 22:40:29 GMT 2025
PRIMARY
PUBCHEM
441881
Created by admin on Mon Mar 31 22:40:29 GMT 2025 , Edited by admin on Mon Mar 31 22:40:29 GMT 2025
PRIMARY
FDA UNII
IG4CAH3DZK
Created by admin on Mon Mar 31 22:40:29 GMT 2025 , Edited by admin on Mon Mar 31 22:40:29 GMT 2025
PRIMARY
MERCK INDEX
m124
Created by admin on Mon Mar 31 22:40:29 GMT 2025 , Edited by admin on Mon Mar 31 22:40:29 GMT 2025
PRIMARY Merck Index