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Maymyrsine

AlkaPlorer ID: AK127959

Synonym: '3R-(3alpha,5beta,5aalpha,6alpha,7alpha,9alpha,9aalpha,10R*)-6,10-bis(Acetyloxy)-7-(benzoyloxy)octahydro-5a-(hydroxymethyl)-2,2,9-trimethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester 3-pyridinecarboxylic acid'

IUPAC Name: [(1S,2R,4S,5R,6R,7S,9R,12R)-5,12-diacetyloxy-4-benzoyloxy-6-(hydroxymethyl)-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] pyridine-3-carboxylate

Structure

SMILES: CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)C3=CC=CN=C3)[C@]3(CO)[C@@H](OC(C)=O)[C@@H](OC(=O)C4=CC=CC=C4)C[C@@H](C)[C@@]13OC2(C)C

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InChI: InChI=1S/C32H37NO10/c1-18-14-24(41-28(37)21-10-7-6-8-11-21)27(40-20(3)36)31(17-34)25(42-29(38)22-12-9-13-33-16-22)15-23-26(39-19(2)35)32(18,31)43-30(23,4)5/h6-13,16,18,23-27,34H,14-15,17H2,1-5H3/t18-,23-,24+,25+,26-,27+,31-,32-/m1/s1

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InChIKey: HJAQUAUHINNOKT-VKBSKAARSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Monteverdia myrsinoides Monteverdia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 595.6450000000002

TPSA？: 147.55

MolLogP？: 3.282000000000002

Number of H-Donors: 1

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information