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tomatidine

AlkaPlorer ID: AK000064

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,2R,4R,5'S,6S,7S,8S,9S,12S,13S,16S,18R)-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

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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

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InChIKey: XYNPYHXGMWJBLV-CVXDYHKGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Solanum lycopersicum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

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

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information