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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O5
Molecular Weight 448.6353
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGIGENIN

SMILES

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

InChI

InChIKey=FYRLHXNMINIDCB-LEGLVIAUSA-N
InChI=1S/C27H44O5/c1-14-5-8-27(31-13-14)15(2)24-23(32-27)11-18-16-9-20(28)19-10-21(29)22(30)12-26(19,4)17(16)6-7-25(18,24)3/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19-,20-,21-,22-,23+,24+,25+,26-,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AGIGENIN [USP-RS]
Preferred Name English
AGIGENIN
USP-RS  
Common Name English
SPIROSTAN-2,3,6-TRIOL, (2.ALPHA.,3.BETA.,5.ALPHA.,6.BETA.,25R)-
Systematic Name English
Code System Code Type Description
CAS
55332-76-8
Created by admin on Mon Mar 31 23:34:51 GMT 2025 , Edited by admin on Mon Mar 31 23:34:51 GMT 2025
PRIMARY
FDA UNII
N5BOT0UHWR
Created by admin on Mon Mar 31 23:34:51 GMT 2025 , Edited by admin on Mon Mar 31 23:34:51 GMT 2025
PRIMARY
PUBCHEM
44566818
Created by admin on Mon Mar 31 23:34:51 GMT 2025 , Edited by admin on Mon Mar 31 23:34:51 GMT 2025
PRIMARY
EPA CompTox
DTXSID901272136
Created by admin on Mon Mar 31 23:34:51 GMT 2025 , Edited by admin on Mon Mar 31 23:34:51 GMT 2025
PRIMARY
RS_ITEM_NUM
1012145
Created by admin on Mon Mar 31 23:34:51 GMT 2025 , Edited by admin on Mon Mar 31 23:34:51 GMT 2025
PRIMARY