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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H43NO2.C2H4O2
Molecular Weight 473.6878
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISORUBIJERVINE ACETATE

SMILES

CC(O)=O.[H][C@]12CC[C@H](C)CN1[C@@]3([H])C[C@@]4([H])[C@]5([H])CC=C6C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC[C@]4(CO)[C@@]3([H])[C@@H]2C

InChI

InChIKey=BEQYGVPPRVMEFW-IKDVFPFSSA-N
InChI=1S/C27H43NO2.C2H4O2/c1-16-4-7-23-17(2)25-24(28(23)14-16)13-22-20-6-5-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,25)15-29;1-2(3)4/h5,16-17,19-25,29-30H,4,6-15H2,1-3H3;1H3,(H,3,4)/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ISORUBIJERVINE ACETATE
Common Name English
SOLANID-5-ENE-3,18-DIOL, (3.BETA.)-, ACETATE
Common Name English
Code System Code Type Description
PUBCHEM
91799752
Created by admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
PRIMARY
FDA UNII
1MM87102NE
Created by admin on Sat Dec 16 08:45:16 UTC 2023 , Edited by admin on Sat Dec 16 08:45:16 UTC 2023
PRIMARY