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name Structure Reference Source Properties Activities Metabolism

(1R,2R,5R,6R,7S,8R,9S,12S)-8-(acetyloxy)-7-(benzoyloxy)-2,5-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-12-yl 1-methyl-6-oxopyridine-3-carboxylate

AlkaPlorer ID: AK089212

Synonym: None

IUPAC Name: [(1R,2R,5R,6R,7S,8R,9S,12S)-8-acetyloxy-7-benzoyloxy-2,5-dihydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-12-yl] 1-methyl-6-oxopyridine-3-carboxylate

Structure

SMILES: CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)C3=CN(C)C(=O)C=C3)[C@]3(OC2(C)C)[C@](C)([C@H](O)CC[C@@]3(C)O)[C@@H]1OC(=O)C1=CC=CC=C1

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InChI: InChI=1S/C31H37NO10/c1-17(33)39-23-22-24(40-27(37)19-12-13-21(35)32(6)16-19)31(42-28(22,2)3)29(4,38)15-14-20(34)30(31,5)25(23)41-26(36)18-10-8-7-9-11-18/h7-13,16,20,22-25,34,38H,14-15H2,1-6H3/t20-,22+,23-,24+,25-,29-,30-,31-/m1/s1

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InChIKey: AGYJKFFPLORZSS-NJUHWPQHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Reissantia buchananii Reissantia Celastraceae Celastrales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 583.6340000000004

TPSA？: 150.59

MolLogP？: 2.157399999999999

Number of H-Donors: 2

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information