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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK239751

Synonym: None

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

Structure

SMILES: CN1C=C(C(=O)O[C@@H]2[C@H]3[C@H](OC(=O)C4=CC=CC=C4)[C@@]4(OC3(C)C)[C@](C)(O)CCC(=O)[C@]4(C)[C@@H]2OC(=O)C2=CC=CC=C2O)C=CC1=O

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InChI: InChI=1S/C36H37NO11/c1-33(2)26-27(45-31(42)21-15-16-25(40)37(5)19-21)29(47-32(43)22-13-9-10-14-23(22)38)35(4)24(39)17-18-34(3,44)36(35,48-33)28(26)46-30(41)20-11-7-6-8-12-20/h6-16,19,26-29,38,44H,17-18H2,1-5H3/t26-,27+,28-,29+,34+,35+,36+/m0/s1

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InChIKey: FLGRZASFRNMVOQ-VPRJFCKISA-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: 659.6880000000004

TPSA？: 167.66

MolLogP？: 3.3651000000000018

Number of H-Donors: 2

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information