Phenanthro[10,1-bc]pyran-5,11(1H,4H)-dione, 2,3,3a,6abeta,7,7aalpha,8,11a,11balpha,11c-decahydro-1alpha,3beta,3abeta-trihydroxy-2beta,10-dimethoxy-3,8alpha,11abeta,11cbeta-tetramethyl-
Basic information
- CAS
30248-06-7- Standard SMILES
COC1=CC(C)C2CC3OC(=O)CC4(O)C(C)(O)C(OC)C(O)C(C2(C)C1=O)C34C- InChIKey
WTMHOKZZJFYIGE-UHFFFAOYSA-N- Molecular formula
- C22H32O8
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.20971797
Names & identifiers
- Preferred name
- Phenanthro[10,1-bc]pyran-5,11(1H,4H)-dione, 2,3,3a,6abeta,7,7aalpha,8,11a,11balpha,11c-decahydro-1alpha,3beta,3abeta-trihydroxy-2beta,10-dimethoxy-3,8alpha,11abeta,11cbeta-tetramethyl-
- IUPAC
- 13,14,16-trihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
Names & synonyms
DTXSID20952618WTMHOKZZJFYIGE-UHFFFAOYSA-NNSC306398NSC-306398Picras-2-ene-1,16-dione, 11,13,14-trihydroxy-2,12-dimethoxy-, (11.alpha.,12.beta.)-Phenanthro[10,1-bc]pyran-5,11(1H,4H)-dione, 2,3,3a,6a.beta.,7,7a.alpha.,8,11a,11b.alpha.,11c-decahydro-1.alpha.,3.beta.,3a.beta.-trihydroxy-2.beta.,10-dimethoxy-3,8.alpha.,11a.beta.,11c.beta.-tetramethyl-11,13,14-Trihydroxy-2,12-dimethoxypicras-2-ene-1,16-dione11,13,14-Trihydroxy-2,12-dimethoxypicras-2-ene-1,16-dione #Picras-2-ene-1, 11,13,14-trihydroxy-2,12-dimethoxy-, (11.alpha.,12.beta.)-Phenanthro(10,1-bc)pyran-5,11(1H,4H)-dione, 2,3,3a,6a.beta.,7,7a.alpha.,8,11a,11b.alpha.,11c-decahydro-1.alpha.,3.beta.,3a.beta.-trihydroxy-2.beta.,10-dimethoxy-3,8.alpha.,11a.beta.,11cb.eta.-tetramethyl-Phenanthro[10,11(1H,4H)-dione, 2,3,3a,6a.beta.,7,7a.alpha.,8,11a,11b.alpha.,11c-decahydro-1.alpha.,3.beta.,3a.beta.-trihydroxy-2.beta.,10-dimethoxy-3,8.alpha.,11a.beta.,11c.beta.-tetramethyl-
Database identifiers
- CAS
30248-06-7- PubChem CID
- 328259
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 824
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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