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name Structure Reference Source Properties Activities Metabolism

(1S,3R,6S,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-[(1R)-1-(methylamino)ethyl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-9-en-14-ol

AlkaPlorer ID: AK009748

Synonym: None

IUPAC Name: (1S,3R,6S,8R,11S,12S,14R,15S,16R)-6-(dimethylamino)-7,7,12,16-tetramethyl-15-[(1R)-1-(methylamino)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadec-9-en-14-ol

Structure

SMILES: CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C

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InChI: InChI=1S/C27H46N2O/c1-17(28-6)22-18(30)15-25(5)20-10-9-19-23(2,3)21(29(7)8)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h9-10,17-22,28,30H,11-16H2,1-8H3/t17-,18-,19+,20+,21+,22+,24-,25+,26-,27+/m1/s1

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InChIKey: LQRKRHDZKOLWKN-ZDPLCZSVSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Buxus sempervirens Buxus Buxaceae Buxales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 414.67800000000034

TPSA？: 35.5

MolLogP？: 4.710400000000004

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