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Acetylmaymyrsine

AlkaPlorer ID: AK054032

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

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

Structure

SMILES: CC(=O)OC[C@]12[C@H](OC(=O)C3=CC=CN=C3)C[C@@H]3[C@H](OC(C)=O)[C@]1(OC3(C)C)[C@@H](C)C[C@@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(C)=O

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InChI: InChI=1S/C34H39NO11/c1-19-15-26(44-30(39)23-11-8-7-9-12-23)29(43-22(4)38)33(18-41-20(2)36)27(45-31(40)24-13-10-14-35-17-24)16-25-28(42-21(3)37)34(19,33)46-32(25,5)6/h7-14,17,19,25-29H,15-16,18H2,1-6H3/t19-,25+,26+,27+,28-,29-,33+,34+/m0/s1

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InChIKey: POTZRPXUXIFDOH-PVFLFJDLSA-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: 637.6820000000005

TPSA？: 153.62

MolLogP？: 3.852800000000003

Number of H-Donors: 0

Number of H-Acceptors: 12

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information