(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,20R,22S,24S)-7-amino-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.0²,¹¹.0⁵,¹⁰.0¹⁵,²⁴.0¹⁷,²²]pentacosan-22-ol

AlkaPlorer ID: AK318958

Synonym: None

IUPAC Name: (1S,5S,7S,10S,14S,16S,20R,22R)-7-amino-10,14,16,20-tetramethyl-23-oxa-18-azahexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosan-22-ol

Structure

SMILES: C[C@H]1CNC2[C@@H](C)C3C(C[C@H]4C5CC[C@H]6C[C@@H](N)CC[C@]6(C)C5CC[C@]34C)O[C@]2(O)C1

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InChI: InChI=1S/C27H46N2O2/c1-15-13-27(30)24(29-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(28)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,29-30H,5-14,28H2,1-4H3/t15-,16+,17+,18+,19?,20?,21+,22?,23?,24?,25+,26+,27-/m1/s1

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InChIKey: ZPTJKUUQUDRHTL-URCRZPMWSA-N

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Reference

PubChem CID: 9932453

NPASS: NPC194076

Properties Information

Molecule Weight: 430.6770000000003

TPSA: 67.51

MolLogP: 4.304000000000004

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