Chlorochrymorin
Basic information
- CAS
52525-23-2- Standard SMILES
C=C1C(=O)O[C@H]2[C@H]1C[C@@H]([C@H](C)O)[C@@]13O[C@@H]1[C@@H](Cl)[C@](C)(O)[C@H]23- InChIKey
VTKBHHKUNBJMHE-HWXSHQRMSA-N- Molecular formula
- C15H19ClO5
- Average molar mass
- 314.76 g/mol
- Monoisotopic mass
- 314.0921014
Overview
Chlorochrymorin is a member of oxanes.
Names & identifiers
- Preferred name
- Chlorochrymorin
- IUPAC
- (1S,2S,4S,8S,9S,10R,11R,12S)-11-chloro-10-hydroxy-2-[(1S)-1-hydroxyethyl]-10-methyl-5-methylidene-7,13-dioxatetracyclo[7.4.0.01,12.04,8]tridecan-6-one
Names & synonyms
Chlorochrymorin52525-23-2(1S,2S,4S,8S,9S,10R,11R,12S)-11-chloro-10-hydroxy-2-[(1S)-1-hydroxyethyl]-10-methyl-5-methylidene-7,13-dioxatetracyclo[7.4.0.01,12.04,8]tridecan-6-oneC09358CHEBI:3624DTXSID60331761Q27106151(3aS,3bS,4R,5R,5aS,6aS,7S,8aS)-5-Chloro-4-hydroxy-7-[(1S)-1-hydroxyethyl]-4-methyl-1-methylideneoctahydrooxireno[1,7a]indeno[4,5-b]furan-2(1H)-one
Database identifiers
- CAS
52525-23-2- PubChem CID
- 442178
- DTXSID
DTXSID60331761- ChEBI
CHEBI:3624
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 550
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Related reactions
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Compound notes
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