Basic information
- CAS
66275-27-2- Standard SMILES
CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C[C@H](O)C[C@@]2(C)[C@@H]13- InChIKey
IKOMNWIZKFALLH-VYRPUYNWSA-N- Molecular formula
- C19H24O6
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.15728848
Names & identifiers
- Preferred name
- 4H,9H-Furo(2',3',4':4,5)naphtha(2,1-c)pyran-4,9-dione, 1,2,3,3a,5a,6,10b,10c-octahydro-2,6-dihydroxy-3a,10b-dimethyl-7-(1-methylethyl)-, (2R-(2alpha,3aalpha,5aalpha,6beta,10bbeta,10calpha))-
- IUPAC
- (1S,8R,9S,12S,14R,16R)-8,14-dihydroxy-1,12-dimethyl-6-propan-2-yl-5,10-dioxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,6-diene-4,11-dione
Names & synonyms
66275-27-24H,9H-Furo(2',3',4':4,5)naphtha(2,1-c)pyran-4,9-dione, 1,2,3,3a,5a,6,10b,10c-octahydro-2,6-dihydroxy-3a,10b-dimethyl-7-(1-methylethyl)-, (2R-(2alpha,3aalpha,5aalpha,6beta,10bbeta,10calpha))-RefChem:296758SCHEMBL30496584DTXSID70984808(2R,3aS,5aS,6R,10bS,10cR)-2,6-Dihydroxy-3a,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,5a,6,10b,10c-octahydro-4H,9H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione2,6-Dihydroxy-3a,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,5a,6,10b,10c-octahydro-4H,9H-furo[2',3',4':4,5]naphtho[2,1-c]pyran-4,9-dione
Database identifiers
- CAS
66275-27-2- PubChem CID
- 181793
- DTXSID
DTXSID70984808- Nikkaji
- J19.050K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 734
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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