(1S,2R,5R,10S,11S,13S,14R,15S)-14-[(1S)-1-[(2S,5S)-1,5-dimethylpiperidin-2-yl]ethyl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,13-diol

AlkaPlorer ID: AK318457

Synonym: None

IUPAC Name: (3S,8S,9S,10R,13S,14S,16S)-17-[(1S)-1-(1,5-dimethylpiperidin-2-yl)ethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol

Structure

SMILES: CC1CCC([C@@H](C)C2[C@@H](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)N(C)C1

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InChI: InChI=1S/C28H47NO2/c1-17-6-9-24(29(5)16-17)18(2)26-25(31)15-23-21-8-7-19-14-20(30)10-12-27(19,3)22(21)11-13-28(23,26)4/h7,17-18,20-26,30-31H,6,8-16H2,1-5H3/t17?,18-,20+,21-,22+,23+,24?,25+,26?,27+,28+/m1/s1

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InChIKey: QFHXSIDXKCKLAC-OSUXRTMNSA-N

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Source

Properties Information

Molecule Weight: 429.6890000000003

TPSA: 43.7

MolLogP: 5.263500000000006

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information