Basic information
- CAS
4412-75-3- Standard SMILES
CC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)CC4(C)C3CCC12C- InChIKey
ORRQISFHANOREL-UHFFFAOYSA-N- Molecular formula
- C23H32O4
- Average molar mass
- 372.5 g/mol
- Monoisotopic mass
- 372.2300595
Names & identifiers
- Preferred name
- 5b-Acetyl-3a,5a,7,7-tetramethyl-3a,3b,4,5,5a,5b,8a,9,9a,9b,10,11-dodecahydroindeno[5',4':4,5]indeno[1,2-d][1,3]dioxol-2(3h)-one
- IUPAC
- 8-acetyl-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.7.0.02,9.04,8.013,17]nonadec-16-en-15-one
Names & synonyms
5b-acetyl-3a,5a,7,7-tetramethyl-3a,3b,4,5,5a,5b,8a,9,9a,9b,10,11-dodecahydroindeno[5',4':4,5]indeno[1,2-d][1,3]dioxol-2(3h)-one4412-75-3NSC68286DTXSID80290361NSC-682865b-Acetyl-3a,5a,7,7-tetramethyl-3a,3b,4,5,5a,5b,8a,9,9a,9b,10,11-dodecahydro-7H-indeno[5',4':4,5]indeno[1,2-d][1,3]dioxol-2(3H)-one
Database identifiers
- CAS
4412-75-3- PubChem CID
- 249704
- DTXSID
DTXSID80290361
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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