Catalog Number:
AG00EB5M
Chemical Name:
TOMATIDINE HYDROCHLORIDE
CAS Number:
6192-62-7
Molecular Formula:
C27H46ClNO2
Molecular Weight:
452.1126
MDL Number:
MFCD11521518
IUPAC Name:
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol;hydrochloride
InChI:
InChI=1S/C27H45NO2.ClH/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;/h16-24,28-29H,5-15H2,1-4H3;1H/t16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26-,27+;/m0./s1
InChI Key:
SXXHVPYRDFJKPG-XRWUXUKGSA-N
SMILES:
CC1CCC2(NC1)OC1C(C2C)C2(C(C1)C1CCC3C(C1CC2)(C)CCC(C3)O)C.Cl
NSC Number:
735985
