(2'-Formyl-6'-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl)methyl acetate
Basic information
- CAS
85345-62-6- Standard SMILES
C=C1C(=O)C23CC1CCC2C1(CCC(O)C(C)(COC(C)=O)C1C=O)COC3=O- InChIKey
YEWUHIZLARNQKT-UHFFFAOYSA-N- Molecular formula
- C22H28O7
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.18350323
Names & identifiers
- Preferred name
- (2'-Formyl-6'-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl)methyl acetate
- IUPAC
- (2'-formyl-6'-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl)methyl acetate
Names & synonyms
(2'-Formyl-6'-hydroxy-1'-methyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,3'-cyclohexane]-1'-yl)methyl acetateDTXSID901005816(2-Formyl-4-hydroxy-3-methyl-8'-methylidene-1',9'-dioxohexahydro-1'H,3'H-spiro[cyclohexane-1,4'-[2]oxa[7,9a]methanocyclohepta[c]pyran]-3-yl)methyl acetate(2-Formyl-4-hydroxy-3-methyl-8'-methylidene-1',9'-dioxohexahydro-1'H,3'H-spiro[cyclohexane-1,4'-[7,9a]methanocyclohepta[c]pyran]-3-yl)methyl acetate
Database identifiers
- CAS
85345-62-6- PubChem CID
- 198613
- DTXSID
DTXSID901005816
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 803
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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