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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H59NO9
Molecular Weight 661.8657
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PAVONININ-1

SMILES

C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)COC(C)=O

InChI

InChIKey=BRNQQEJYQPMDNG-CIALHVAPSA-N
InChI=1S/C37H59NO9/c1-20(19-45-23(4)41)8-7-9-21(2)26-10-11-27-31-28(13-15-37(26,27)6)36(5)14-12-25(42)16-24(36)17-29(31)46-35-32(38-22(3)40)34(44)33(43)30(18-39)47-35/h16,20-21,26-35,39,43-44H,7-15,17-19H2,1-6H3,(H,38,40)/t20-,21-,26-,27+,28+,29-,30-,31+,32-,33-,34-,35-,36+,37-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PAVONININ-1
MI  
Common Name English
(7.ALPHA.,25R)-7-((2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)OXY)-26-(ACETYLOXY)CHOLEST-4-EN-3-ONE
Preferred Name English
CHOLEST-4-EN-3-ONE, 7-((2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)OXY)-26-(ACETYLOXY)-, (7.ALPHA.,25R)-
Common Name English
PAVONININ-1 [MI]
Common Name English
Code System Code Type Description
FDA UNII
4V6HU96612
Created by admin on Mon Mar 31 23:37:45 GMT 2025 , Edited by admin on Mon Mar 31 23:37:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID20915541
Created by admin on Mon Mar 31 23:37:45 GMT 2025 , Edited by admin on Mon Mar 31 23:37:45 GMT 2025
PRIMARY
MERCK INDEX
m8429
Created by admin on Mon Mar 31 23:37:45 GMT 2025 , Edited by admin on Mon Mar 31 23:37:45 GMT 2025
PRIMARY Merck Index
CAS
94426-01-4
Created by admin on Mon Mar 31 23:37:45 GMT 2025 , Edited by admin on Mon Mar 31 23:37:45 GMT 2025
PRIMARY
PUBCHEM
21725054
Created by admin on Mon Mar 31 23:37:45 GMT 2025 , Edited by admin on Mon Mar 31 23:37:45 GMT 2025
PRIMARY