Basic information
- CAS
50764-09-5- Standard SMILES
C=C1C(=O)OC2C1C(OC(C)=O)C/C(C)=C\CCC1(C)OC21- InChIKey
ODYJJNFWFYUXSS-TWGQIWQCSA-N- Molecular formula
- C17H22O5
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1467238
Names & identifiers
- Preferred name
- Dehydrolanuginolide B628976K096
- IUPAC
- [(7Z)-4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-10-yl] acetate
Names & synonyms
NSC29537650764-09-5DEHYDROLANUGINOLIDE B628976K096DTXSID60420422NSC-295376(4Z)-1a,5-Dimethyl-8-methylidene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[9,10]cyclodeca[1,2-b]furan-7-yl acetate
Database identifiers
- CAS
50764-09-5- PubChem CID
- 5477148
- DTXSID
DTXSID60420422
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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