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name Structure Reference Source Properties Activities Metabolism

(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosane-6,2'-piperidine]-15,16-diol

AlkaPlorer ID: AK112172

Synonym: None

IUPAC Name: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-15,16-diol

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)[C@H](O)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C

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InChI: InChI=1S/C27H45NO3/c1-15-7-10-27(28-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(29)22(30)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-30H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1

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InChIKey: PJCWEEQFPAZSDK-RYKNUXCGSA-N

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Properties Information

Molecule Weight: 431.6610000000002

TPSA？: 61.72

MolLogP？: 4.337600000000004

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information