Ccris 3973
Basic information
- CAS
102694-32-6- Standard SMILES
O=C1C=C[C@]2(O)c3c(ccc(O)c31)-c1ccc(O)c3c1[C@H]2C1OC1C3=O- InChIKey
OXZKROMWFXHLSV-ACAXCVFMSA-N- Molecular formula
- C20H12O6
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.0633881
Names & identifiers
- Preferred name
- Ccris 3973
- IUPAC
- (10R,11S)-5,10,17-trihydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,8,16,18-heptaene-7,15-dione
Names & synonyms
CCRIS 3973DTXSID90908001(10R,11S)-5,10,17-trihydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,8,16,18-heptaene-7,15-dionePerylo(1,2-b)oxirane-7,11-dione, 7a,8a,8b,8c-tetrahydro-1,6,8c-trihydroxy-, (7aalpha,8aalpha,8balpha,8calpha)-(+)-1,6,8c-Trihydroxy-7a,8a,8b,8c-tetrahydroperylo[1,2-b]oxirene-7,11-dione(8bS,8cR)-1,6,8c-Trihydroxy-7a,8a,8b,8c-tetrahydroperylo[1,2-b]oxirene-7,11-dione
Database identifiers
- CAS
102694-32-6- PubChem CID
- 128155
- DTXSID
DTXSID90908001
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 732
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Compound notes
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