Basic information
- CAS
57672-91-0- Standard SMILES
C=C1[C@H]([C@]2(C)[C@@H](OC(C)=O)CC(=O)O[C@](C)(COC(C)=O)[C@@H]2CC(=O)OC)[C@@H](OC=O)[C@H](OC(=O)[C@H](O)[C@H](C)CC)[C@@]2(C)[C@@H](c3ccoc3)CC(=O)[C@]12O- InChIKey
LRLMYQFHTXHFRH-RUPODZMKSA-N- Molecular formula
- C38H50O16
- Average molar mass
- 762.8 g/mol
- Monoisotopic mass
- 762.3098855
Overview
Endosidin 1 has been reported in Turraea obtusifolia, Munronia pinnata, and other organisms with data available.
Names & identifiers
- Preferred name
- Endosidin1
- IUPAC
- [(3R,3aR,4R,5R,6S,7aS)-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
- English name
- PRIEURIANIN FROM GUAREA TRICHILIOIDES
- Molecular formula
- C38H50O16
- Molecular weight
- 762.8
Names & synonyms
Endosidin 1Endosidin1NSC 312621SCHEMBL30259827GLXC-21258A-Homo-24-nor-4-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 1-(acetyloxy)-4a-((acetyloxy)methyl)-21,23-epoxy-11-(formyloxy)-14-hydroxy-12-((2-hydroxy-3-methyl-1-oxopentyl)oxy)-4a-methyl-3,15-dioxo-, methyl ester, (1alpha,4abeta,5beta,11beta,12alpha(2R,3R),13alpha,14beta,17alpha)-prieurianinPRIEURIANIN FROM GUAREA TRICHILIOIDESD-xylo-Heptonic acid, 2,4,5-trideoxy-4-[(1S,3aS,5R,6R,7R,7aS)-6-(formyloxy)-1-(3-furanyl)octahydro-7-[[(2R,3R)-2-hydroxy-3-methyl-1-oxopentyl]oxy]-3a-hydroxy-7a-methyl-4-methylene-3-oxo-1H-inden-5-yl]-5-(2-methoxy-2-oxoethyl)-4-methyl-6-C-methyl-, ε-lactone, 3,7-diacetate, (4R)-
Database identifiers
- CAS
57672-91-0- PubChem CID
- 73600
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 17
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,530
Physicochemical properties
- Melting point
- 214 · 214-218 °C
- Boiling point
- 801.2 · 801.2±65.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 11.39 · 11.39±0.70(Predicted)
Chemistry & industry
Applications
DescriptionEndosidin1 is a natural vesicle trafficking inhibitor.
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
武汉博欧特生物科技有限公司+44 (0)1223 859 353 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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