Roseatoxide
Basic information
- CAS
90706-57-3- Standard SMILES
CC1=C2CC3(C)C(=O)CC(C(C)C)C3(O)CC3OC3(C)C2CC1- InChIKey
IHPNQAPFMSFVLC-UHFFFAOYSA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Names & identifiers
- Preferred name
- Roseatoxide
- IUPAC
- 6-hydroxy-2,10,13-trimethyl-7-propan-2-yl-3-oxatetracyclo[10.3.0.02,4.06,10]pentadec-12-en-9-one
Names & synonyms
90706-57-3Roseatoxide8a-hydroxy-1a,4,5a-trimethyl-8-(propan-2-yl)-1b,2,3,5,5a,7,8,8a,9,9a-decahydrodicyclopenta[3,4:6,7]cycloocta[1,2-b]oxiren-6(1ah)-oneDTXSID10920220Dicyclopenta(3,4:6,7)cyclooct(1,2-b)oxiren-6- (1bH)-one, 1a,2,3,5,5a,7,8,8a,9,9a-decahydro- 8a-hydroxy-1a,4,5a-trimethyl-8-(1-methylethyl)-
Database identifiers
- CAS
90706-57-3- PubChem CID
- 185039
- DTXSID
DTXSID10920220
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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