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

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H49ClO8
Molecular Weight 621.201
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SENEGENIN DIACETATE

SMILES

[H][C@@]12CC(C)(C)CC[C@@]1(CCC3=C2[C@@H](CCl)C[C@@]4([H])[C@@]3(C)CC[C@]5([H])[C@]4(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]5(C)C(O)=O)C(O)=O

InChI

InChIKey=QFCSSSITYJSGRU-PBKMBFQLSA-N
InChI=1S/C34H49ClO8/c1-18(36)42-23-16-32(6)24(33(7,28(38)39)27(23)43-19(2)37)9-10-31(5)21-8-11-34(29(40)41)13-12-30(3,4)15-22(34)26(21)20(17-35)14-25(31)32/h20,22-25,27H,8-17H2,1-7H3,(H,38,39)(H,40,41)/t20-,22+,23+,24-,25+,27+,31+,32+,33+,34-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SENEGENIN DIACETATE
MI  
Common Name English
27-NOROLEAN-13-ENE-23,28-DIOIC ACID, 12-(CHLOROMETHYL)-2,3-DIHYDROXY-, (2.BETA.,3.BETA.,4.ALPHA.,12.ALPHA.)-, DIACETATE
Systematic Name English
SENEGENIN DIACETATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
00V8CJ76Y9
Created by admin on Sat Dec 16 05:17:41 GMT 2023 , Edited by admin on Sat Dec 16 05:17:41 GMT 2023
PRIMARY
CAS
106068-78-4
Created by admin on Sat Dec 16 05:17:41 GMT 2023 , Edited by admin on Sat Dec 16 05:17:41 GMT 2023
PRIMARY
PUBCHEM
90479608
Created by admin on Sat Dec 16 05:17:41 GMT 2023 , Edited by admin on Sat Dec 16 05:17:41 GMT 2023
PRIMARY
MERCK INDEX
m461
Created by admin on Sat Dec 16 05:17:41 GMT 2023 , Edited by admin on Sat Dec 16 05:17:41 GMT 2023
PRIMARY Merck Index