octahydromezerein
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Basic information
- CAS
124392-15-0- Standard SMILES
CC1CC2C(O)(C1=O)C(O)C1(CO)OC1C1C3OC4(c5ccccc5)OC3(C(C)C)C(OC(=O)CCCCc3ccccc3)C(C)C12O4- InChIKey
PXVGITCSLQQEDI-UHFFFAOYSA-N- Molecular formula
- C38H46O10
- Average molar mass
- 662.78 g/mol
Names & identifiers
- Preferred name
- octahydromezerein
- English name
- octahydromezerein
- Molecular formula
- C38H46O10
- Molecular weight
- 662.78
Names & synonyms
octahydromezerein1,2,15,16-Tetrahydro-12-[(1-oxo-5-phenylpentyl)oxy]daphnetoxinBenzenepentanoic acid, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-dodecahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethyl)-6-oxo-2-phenyl-6H-2,8b-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-10-yl ester
Database identifiers
- CAS
124392-15-0、145680-57-5- PubChem CID
- 164152
Properties
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 11.71 · 11.71±0.70(Predicted)
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Related reactions
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Compound notes
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