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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H43NO2
Molecular Weight 413.6358
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 12
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUBIJERVINE

SMILES

[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])C[C@H](O)[C@]4(C)[C@@]3([H])[C@@H]2C

InChI

InChIKey=AANKDJLVHZQCFG-KVHNBARJSA-N
InChI=1S/C27H43NO2/c1-15-5-8-22-16(2)25-23(28(22)14-15)12-21-19-7-6-17-11-18(29)9-10-26(17,3)20(19)13-24(30)27(21,25)4/h6,15-16,18-25,29-30H,5,7-14H2,1-4H3/t15-,16+,18-,19+,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H43NO2
Molecular Weight 413.6358
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 12
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:36:15 GMT 2023
Edited
by admin
on Sat Dec 16 09:36:15 GMT 2023
Record UNII
R55TZ5WMAQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RUBIJERVINE
MI  
Common Name English
RUBIGERVINE
Common Name English
SOLANID-5-ENE-3,12-DIOL, (3.BETA.,12.ALPHA.)-
Common Name English
RUBIJERVINE [MI]
Common Name English
RUBIJERVIN
Common Name English
NSC-76026
Code English
Code System Code Type Description
MERCK INDEX
m9690
Created by admin on Sat Dec 16 09:36:16 GMT 2023 , Edited by admin on Sat Dec 16 09:36:16 GMT 2023
PRIMARY Merck Index
FDA UNII
R55TZ5WMAQ
Created by admin on Sat Dec 16 09:36:16 GMT 2023 , Edited by admin on Sat Dec 16 09:36:16 GMT 2023
PRIMARY
PUBCHEM
253295
Created by admin on Sat Dec 16 09:36:16 GMT 2023 , Edited by admin on Sat Dec 16 09:36:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID90101658
Created by admin on Sat Dec 16 09:36:16 GMT 2023 , Edited by admin on Sat Dec 16 09:36:16 GMT 2023
PRIMARY
CAS
79-58-3
Created by admin on Sat Dec 16 09:36:16 GMT 2023 , Edited by admin on Sat Dec 16 09:36:16 GMT 2023
PRIMARY
NSC
76026
Created by admin on Sat Dec 16 09:36:16 GMT 2023 , Edited by admin on Sat Dec 16 09:36:16 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY