Anthra(2,3-b)oxirene-3,8-dione, 1a,2,2a,8a,9,9a-hexahydro-4,7-dihydroxy-1a-methyl-2-((trimethylsilyl)oxy)-, (1aalpha,2a,2abeta,8abeta,9aalpha)-
Basic information
- CAS
98670-73-6- Standard SMILES
C[C@]12O[C@H]1C[C@@H]1C(=O)c3c(O)ccc(O)c3C(=O)[C@@H]1[C@@H]2O[Si](C)(C)C- InChIKey
DWZDHACQJBQEML-SEHZAEHDSA-N- Molecular formula
- C18H22O6Si
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.11856495
Names & identifiers
- Preferred name
- Anthra(2,3-b)oxirene-3,8-dione, 1a,2,2a,8a,9,9a-hexahydro-4,7-dihydroxy-1a-methyl-2-((trimethylsilyl)oxy)-, (1aalpha,2a,2abeta,8abeta,9aalpha)-
- IUPAC
- (1S,10S,11S,12S,14S)-4,7-dihydroxy-12-methyl-11-trimethylsilyloxy-13-oxatetracyclo[8.5.0.03,8.012,14]pentadeca-3,5,7-triene-2,9-dione
Names & synonyms
98670-73-6Anthra(2,3-b)oxirene-3,8-dione, 1a,2,2a,8a,9,9a-hexahydro-4,7-dihydroxy-1a-methyl-2-((trimethylsilyl)oxy)-, (1aalpha,2a,2abeta,8abeta,9aalpha)-DTXSID50913136(1aS,2S,2aS,8aS,9aS)-4,7-Dihydroxy-1a-methyl-2-[(trimethylsilyl)oxy]-1a,2,2a,8a,9,9a-hexahydroanthra[2,3-b]oxirene-3,8-dione4,7-Dihydroxy-1a-methyl-2-[(trimethylsilyl)oxy]-1a,2,2a,8a,9,9a-hexahydroanthra[2,3-b]oxirene-3,8-dione
Database identifiers
- CAS
98670-73-6- PubChem CID
- 180735
- DTXSID
DTXSID50913136
Properties
Computed structural properties
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 615
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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