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name Structure Reference Source Properties Activities Metabolism

[(1S,2R,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-methoxybenzoate

AlkaPlorer ID: AK200591

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-16-hydroxy-4,6,8-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-methoxybenzoate

Structure

SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3OC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](OC)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14

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InChI: InChI=1S/C32H45NO7/c1-6-33-16-30(17-40-29(35)18-9-7-8-10-22(18)36-2)12-11-25(34)32-20-13-19-23(37-3)15-31(39-5,26(20)27(19)38-4)21(28(32)33)14-24(30)32/h7-10,19-21,23-28,34H,6,11-17H2,1-5H3/t19-,20-,21+,23+,24-,25+,26-,27+,28-,30+,31+,32-/m1/s1

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InChIKey: XHJDCLXGXWJUHK-DNZCMCMLSA-N

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Properties Information

Molecule Weight: 555.7120000000003

TPSA？: 86.69000000000001

MolLogP？: 3.4045000000000023

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information