tomatidine
AlkaPlorer ID: AK000065
Synonym: '', 'Soladulcidine', '5alpha,25D-Solasodan-3b-ol', '(3beta,5alpha,22beta,25S)-spirosolan-3-ol', 'Megacarpidin', 'Tomatidine', 'Megacarpidine', 'Tomatidin', '5alpha-tomatidan-3beta-ol'
IUPAC Name: (1S,2S,4S,5'S,6R,7S,8R,9R,12S,13R,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol
Structure
SMILES: C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C
InChI: InChI=1S/C27H45NO2/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/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+/m0/s1
InChIKey: XYNPYHXGMWJBLV-QSDRTFLWSA-N
Source
Properties Information
Molecule Weight: 415.66200000000026
TPSA？: 41.49
MolLogP？: 5.366800000000006
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
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