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name Structure Reference Source Properties Activities Metabolism

(1S,2R,6R,9S,10R,11R,12S,13R,14R,15S,16S,18S,19S,22S,23S,25R)-10,12,13,14,16,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.0²,¹¹.0⁴,⁹.0¹⁵,²⁵.0¹⁸,²³.0¹⁹,²⁵]hexacosan-22-yl 3,4-dimethoxybenzoate

AlkaPlorer ID: AK253130

Synonym: None

IUPAC Name: [(1S,2R,6R,9S,10R,11R,12S,13R,14R,15S,16S,18S,19S,22S,23S,25R)-10,12,13,14,16,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl] 3,4-dimethoxybenzoate

Structure

SMILES: COC1=CC=C(C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4C[C@H](O)[C@H]5[C@@]6(O)[C@H](O)[C@@H](O)[C@H]7[C@H](CN8C[C@H](C)CC[C@H]8[C@]7(C)O)[C@@H]6C[C@@]53O[C@]24O)C=C1OC

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InChI: InChI=1S/C36H51NO11/c1-17-6-9-25-33(3,42)27-19(16-37(25)15-17)20-14-34-29(35(20,43)30(40)28(27)39)21(38)13-24-32(34,2)11-10-26(36(24,44)48-34)47-31(41)18-7-8-22(45-4)23(12-18)46-5/h7-8,12,17,19-21,24-30,38-40,42-44H,6,9-11,13-16H2,1-5H3/t17-,19-,20+,21+,24+,25+,26+,27-,28+,29-,30-,32+,33+,34-,35-,36+/m1/s1

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InChIKey: XWPDBLOJNQWPDC-OYJBZMAPSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Veratrum dahuricum Veratrum Melanthiaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 673.8000000000002

TPSA？: 178.61

MolLogP？: 1.0678000000000012

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information