TOMATIDINE HYDROCHLORIDE

CAS No.
6192-62-7
CCD No.
CCD00064589
Formula
C27 H45 N O2 . Cl H
MolWeight
452.118

Basic Information

Product Name: TOMATIDINE HYDROCHLORIDE
CAS: 6192-62-7
English Synonyms: TOMATIDIN HYDROCHLORIDE ; TOMATIDINE HCL ; (3BETA,5ALPHA,22BETA,25S)-SPIROSOLAN-3-OL HYDROCHLORIDE ; SPIRPSOLAN-3-OL-(3B,5A,22B,25C) HCL ; TOMATIDINE HYDROCHLORIDE ; 3BETA-HYDROXY-5ALPHA-TOMATIDANE HYDROCHLORIDE ; 5ALPHA-TOMATIDAN-3BETA-OL HYDROCHLORIDE
MDL Number.: MFCD00133866
H bond acceptor: 3
H bond donor: 2
Smile: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)O)C)C)C)NC1.Cl
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
InChiKey: InChIKey=SXXHVPYRDFJKPG-XRWUXUKGSA-N

Property

Comments: CRYSTALLINE

Safety information

WGK Germany: 3

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