Basic information
- CAS
77967-61-4- Standard SMILES
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CCC[C@@](C)(COC(C)=O)[C@H]1[C@H](O)[C@@]3(O)OC2- InChIKey
XQPBZGQNCZAVQT-AJEWKEGKSA-N- Molecular formula
- C22H30O7
- Average molar mass
- 406.5 g/mol
Overview
[(1R,2S,3R,5S,8S,9S,10S,11R,12R)-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate has been reported in Isodon japonicus, Isodon adenolomus, and other organisms with data available.
Names & identifiers
- Preferred name
- [(1R,2S,3R,5S,8S,9S,10S,11R,12R)-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
- IUPAC
- [(1R,2S,3R,5S,8S,9S,10S,11R,12R)-3,9,10-trihydroxy-12-methyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-12-yl]methyl acetate
- English name
- (4R)-18-Acetoxy-7α,20-epoxy-6β,7,11α-trihydroxykaur-16-en-15-one
- Molecular formula
- C22H30O7
- Molecular weight
- 406.4694
Names & synonyms
Longikaurin D(4R)-18-Acetoxy-7α,20-epoxy-6β,7,11α-trihydroxykaur-16-en-15-one
Database identifiers
- CAS
77967-61-4
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 809
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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