Solasodine
AlkaPlorer ID: AK000166
Synonym: '', 'Solasod 5-ene 3?-ol', 'Solasodine', 'Solancarpidine', 'Purapuridine', 'Tomatidenol'
IUPAC Name: (1S,2S,4R,5'R,6S,7S,8R,9R,12S,13R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-piperidine]-16-ol
Structure
SMILES: C[C@@H]1CC[C@]2(NC1)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]1[C@@H]2C
InChI: 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+/m1/s1
InChIKey: KWVISVAMQJWJSZ-VPPUBXCZSA-N
Source
Properties Information
Molecule Weight: 413.6460000000003
TPSA？: 41.49
MolLogP？: 5.2869000000000055
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 6
Activities Information
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