solanidine

AlkaPlorer ID: AK008625

Synonym: '', '(3beta)-solanid-5-en-3-ol', 'Solatubine', 'Solanidine', 'solanid-5-en-3beta-ol'

IUPAC Name: (1S,2S,7S,10R,11R,14S,15R,16S,17S,20S,23R)-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-ol

Structure

SMILES: C[C@H]1CC[C@H]2[C@@H](C)[C@H]3[C@@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]34C)N2C1

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InChI: InChI=1S/C27H43NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,29H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21+,22-,23-,24+,25-,26-,27-/m0/s1

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InChIKey: JVKYZPBMZPJNAJ-WLAGBFNHSA-N

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Source

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

Properties Information

Molecule Weight: 397.6470000000003

TPSA: 23.47

MolLogP: 5.655000000000007

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information