6b-Acetyl-8-(2-furyl)-4a,6a,8-trimethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Basic information
- CAS
7148-96-1- Standard SMILES
CC(=O)C12OC(C)(c3ccco3)OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC12C- InChIKey
PDWGBWJIJZYLQQ-UHFFFAOYSA-N- Molecular formula
- C27H34O5
- Average molar mass
- 438.6 g/mol
- Monoisotopic mass
- 438.24062418
Names & identifiers
- Preferred name
- 6b-Acetyl-8-(2-furyl)-4a,6a,8-trimethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
- IUPAC
- 8-acetyl-6-(furan-2-yl)-6,9,13-trimethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
Names & synonyms
acetyl-(2-furyl)-trimethyl-[?]one6b-Acetyl-8-(2-furyl)-4a,6a,8-trimethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Database identifiers
- CAS
7148-96-1- PubChem CID
- 494033
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 894
Experimental & physicochemical properties
LogP4.76
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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