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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H50O5
Molecular Weight 490.715
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEASAPOGENOL B

SMILES

[H][C@@]12CC(C)(C)[C@@H](O)[C@H](O)[C@]1(CO)[C@H](O)C[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C

InChI

InChIKey=AYDKOFQQBHRXEW-AAUPIIFFSA-N
InChI=1S/C30H50O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(32)26(3,4)19(27)10-13-28(20,6)29(17,7)15-22(33)30(18,16-31)24(35)23(25)34/h8,18-24,31-35H,9-16H2,1-7H3/t18-,19-,20+,21-,22+,23-,24-,27-,28+,29+,30-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
THEASAPOGENOL B
Common Name English
GIGANTEUMGENIN M
Common Name English
JEGOSAPOGENOL
Common Name English
JEGOSAPOGENOL A
Common Name English
CAREYAGENOL A
Common Name English
BARRINGTOGENOL C
Common Name English
PROSCHIWALLIGENIN PB1
Common Name English
SANICULAGENIN D
Common Name English
ESCINIDIN
Common Name English
OLEAN-12-ENE-3,16,21,22,28-PENTOL, (3.BETA.,16.ALPHA.,21.BETA.,22.ALPHA.)-
Systematic Name English
Code System Code Type Description
CAS
13844-01-4
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
PRIMARY
CHEBI
2994
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
PRIMARY
FDA UNII
EXS7QH1WV9
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
PRIMARY
PUBCHEM
185465
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
PRIMARY
EPA CompTox
DTXSID00930116
Created by admin on Sat Dec 16 08:42:51 GMT 2023 , Edited by admin on Sat Dec 16 08:42:51 GMT 2023
PRIMARY