Basic information
- CAS
4547-22-2- Standard SMILES
CC1CC(=O)[C@@H](O)[C@]2(C)[C@@H]3C45OC[C@]3(O)[C@H](O)[C@H](C)[C@@H]4CC(=O)O[C@@H]5C[C@@H]12- InChIKey
ZCAKGRFWNGSWEO-MOCWUDHTSA-N- Molecular formula
- C20H28O7
- Average molar mass
- 380.4 g/mol
- Monoisotopic mass
- 380.18350323
Names & identifiers
- Preferred name
- Dihydrochaparrinone
- IUPAC
- (4S,5R,6R,7S,11R,13S,17S,18S,19S)-4,5,17-trihydroxy-6,14,18-trimethyl-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecane-9,16-dione
Names & synonyms
Dihydrochaparrinone3,4-DihydrochaparrinonePicrasane-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1-beta,4-xi,11-beta,12-alpha)-4547-22-2RefChem:338247DTXSID50963393(1S,2R,3R,3aS,6aR,7aS,11S,11aS,11bS)-1,2,11-Trihydroxy-3,8,11a-trimethyldecahydro-2H-11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aH)-dione1,2,11-Trihydroxy-3,8,11a-trimethyldecahydro-2H-11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aH)-dione
Database identifiers
- CAS
4547-22-2- PubChem CID
- 199609
- DTXSID
DTXSID50963393
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 723
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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