None

AlkaPlorer ID: AK323058

Synonym: None

IUPAC Name: [(1S,3S,4S,5S,7S,9S,13S,14R,15R,16S,17R)-3,4,7-trihydroxy-9,11-dimethyl-15-[(E)-2-methylbut-2-enoyl]oxy-19-methylidene-11-azahexacyclo[12.3.2.01,13.04,9.05,12.05,17]nonadecan-16-yl] benzoate

Structure

SMILES: C=C1C[C@]23C[C@H](O)[C@]4(O)[C@@]5(C)C[C@H](O)C[C@]46C([C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](OC(=O)C1=CC=CC=C1)[C@H]36)N(C)C5

copy

InChI: InChI=1S/C33H41NO7/c1-6-17(2)28(37)40-24-22-18(3)12-31-15-21(36)33(39)30(4)13-20(35)14-32(33,27(23(22)31)34(5)16-30)26(31)25(24)41-29(38)19-10-8-7-9-11-19/h6-11,20-27,35-36,39H,3,12-16H2,1-2,4-5H3/b17-6+/t20-,21-,22-,23+,24+,25+,26+,27?,30-,31-,32-,33-/m0/s1

copy

InChIKey: XJLODMYZTCJKGC-VDIAXKGGSA-N

copy

Reference

PubChem CID: 127028048

Source

Properties Information

Molecule Weight: 563.6910000000001

TPSA: 116.53000000000002

MolLogP: 2.869200000000002

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