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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-6,8,9-trihydroxy-16,18-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl benzoate

AlkaPlorer ID: AK263221

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-11-ethyl-6,8,9-trihydroxy-16,18-dimethoxy-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]6O)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

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InChI: InChI=1S/C30H41NO7/c1-5-31-15-27(2)12-11-20(36-3)29-18-13-17-19(32)14-28(34,30(35,26(29)31)24(37-4)23(27)29)21(18)22(17)38-25(33)16-9-7-6-8-10-16/h6-10,17-24,26,32,34-35H,5,11-15H2,1-4H3/t17-,18-,19+,20+,21-,22+,23-,24+,26+,27+,28-,29+,30-/m1/s1

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InChIKey: CFQCSBMXAIKJLN-FUYFFLBFSA-N

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Properties Information

Molecule Weight: 527.6580000000002

TPSA？: 108.69

MolLogP？: 1.8551

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information