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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK242208

Synonym: None

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

Structure

SMILES: CC(=O)OC[C@]12[C@H](OC(=O)C3=COC=C3)CC[C@@](C)(O)[C@@]13OC(C)(C)[C@@H]([C@@H](OC(=O)C1=CN(C)C(=O)C=C1)[C@@H]2OC(=O)C1=CC=CC=C1)[C@@H]3OC(C)=O

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InChI: InChI=1S/C38H41NO14/c1-21(40)48-20-37-26(50-34(45)25-15-17-47-19-25)14-16-36(5,46)38(37)30(49-22(2)41)28(35(3,4)53-38)29(31(37)52-32(43)23-10-8-7-9-11-23)51-33(44)24-12-13-27(42)39(6)18-24/h7-13,15,17-19,26,28-31,46H,14,16,20H2,1-6H3/t26-,28+,29-,30+,31+,36-,37-,38-/m1/s1

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InChIKey: RAKYFUWUKQOFPL-IOSKVHGPSA-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: 735.7390000000004

TPSA？: 196.1

MolLogP？: 3.158300000000001

Number of H-Donors: 1

Number of H-Acceptors: 15

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information