(1R,2S,6R,9S,10R,11R,14S,15S,17R,18S,20S,23R,24R)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁴.0¹⁸,²³]pentacosane-17,20-diol

AlkaPlorer ID: AK465084

Synonym: None

IUPAC Name: (1R,2S,9R,10S,11R,14S,15S,17R,18S,20S,23R,24S)-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-diol

Structure

SMILES: CC1CC[C@@H]2[C@@H](C)[C@@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@@H](O)[C@H]4C[C@@H](O)CC[C@@]45C)[C@@H]3CN2C1

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InChI: InChI=1S/C27H45NO2/c1-15-4-7-25-16(2)18-5-6-19-20(22(18)14-28(25)13-15)11-23-21(19)12-26(30)24-10-17(29)8-9-27(23,24)3/h15-26,29-30H,4-14H2,1-3H3/t15?,16-,17-,18-,19+,20+,21-,22+,23-,24+,25+,26+,27+/m0/s1

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InChIKey: NEMWYOKGHGSVSC-XQMXTPFTSA-N

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Source

Properties Information

Molecule Weight: 415.66200000000026

TPSA: 43.7

MolLogP: 4.563200000000005

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