Oridonin (Isodonol)
Basic information
- CAS
18288-82-9- Standard SMILES
C=C1C(=O)[C@@]23C(O)[C@H]1CCC2[C@]12COC3(O)[C@@H](O)C1C(C)(C)CCC2O- InChIKey
SDHTXBWLVGWJFT-JVSVCWKYSA-N- Molecular formula
- C20H28O6
- Average molar mass
- 364.4 g/mol
- Monoisotopic mass
- 364.18858861
Names & identifiers
- Preferred name
- Oridonin (Isodonol)
- IUPAC
- (1R,5S,8S,10S)-9,10,15,18-tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Names & synonyms
Oridonin (Isodonol)SCHEMBL10249050DTXSID5093965418288-82-91,6,7,14-Tetrahydroxy-7,20-epoxykaur-16-en-15-one(5xi,9xi)-1,6beta,7,14-Tetrahydroxy-13alpha-7,20-epoxykaur-16-en-15-one(1R,5S,8S,10S)-9,10,15,18-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Database identifiers
- CAS
18288-82-9- PubChem CID
- 34378
- DTXSID
DTXSID50939654
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 717
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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