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 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOMATIDENOL

SMILES

C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]16CC[C@H](C)CN6

InChI

InChIKey=KWVISVAMQJWJSZ-INULWVDGSA-N
InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/t16-,17-,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 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:34:46 GMT 2025
Edited
by admin
on Wed Apr 02 12:34:46 GMT 2025
Record UNII
G2T23B7YZV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-TOMATIDENOL
Preferred Name English
TOMATIDENOL
Common Name English
SOLA-DULCAMARIDINE
Common Name English
SOLADULCAMARIDINE
Common Name English
.DELTA.5-TOMATIDEN-3.BETA.-OL
Common Name English
DEHYDROTOMATIDINE
Common Name English
(3.BETA.,22.BETA.,25S)-SPIROSOL-5-EN-3-OL
Systematic Name English
SPIROSOL-5-EN-3-OL, (3.BETA.,22.BETA.,25S)-
Systematic Name English
TOMATID-5-EN-3.BETA.-OL
Common Name English
(1S,2S,4S,5'S,6S,7S,8R,9S,12S,13R,16S)-5',7,9,13-TETRAMETHYLSPIRO(5-OXAPENTACYCLO(10.8.0.02,9.04,8.013,18)ICOS-18-ENE-6,2'-PIPERIDINE)-16-OL
Systematic Name English
Code System Code Type Description
PUBCHEM
12442871
Created by admin on Wed Apr 02 12:34:46 GMT 2025 , Edited by admin on Wed Apr 02 12:34:46 GMT 2025
PRIMARY
CAS
546-40-7
Created by admin on Wed Apr 02 12:34:46 GMT 2025 , Edited by admin on Wed Apr 02 12:34:46 GMT 2025
PRIMARY
FDA UNII
G2T23B7YZV
Created by admin on Wed Apr 02 12:34:46 GMT 2025 , Edited by admin on Wed Apr 02 12:34:46 GMT 2025
PRIMARY