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name Structure Reference Source Properties Activities Metabolism

(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

AlkaPlorer ID: AK265914

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Structure

SMILES: CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)C7=CC=CC=C7)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

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InChI: InChI=1S/C31H43NO7/c1-6-32-16-28(2)13-12-21(37-4)30-19-14-18-20(36-3)15-29(34,31(35,27(30)32)25(38-5)24(28)30)22(19)23(18)39-26(33)17-10-8-7-9-11-17/h7-11,18-25,27,34-35H,6,12-16H2,1-5H3/t18-,19-,20+,21+,22-,23+,24-,25+,27+,28+,29-,30+,31-/m1/s1

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InChIKey: LDZDUGYTLKWPEI-FTQMYMCWSA-N

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Properties Information

Molecule Weight: 541.6850000000003

TPSA？: 97.69

MolLogP？: 2.5092000000000008

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information