1b-Hydroxy-6a-methyl-3-oxo-8-(prop-1-en-2-yl)octahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-6-yl acetate
Basic information
- CAS
27556-19-0- Standard SMILES
C=C(C)C1C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2OC(C)=O- InChIKey
UUEQFDNPPWQXQE-UHFFFAOYSA-N- Molecular formula
- C17H20O7
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.12090297
Names & identifiers
- Preferred name
- 1b-Hydroxy-6a-methyl-3-oxo-8-(prop-1-en-2-yl)octahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-6-yl acetate
- IUPAC
- (2-hydroxy-7-methyl-11-oxo-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-8-yl) acetate
Names & synonyms
2-O-Acetyltutin2749-28-21b-hydroxy-6a-methyl-3-oxo-8-(prop-1-en-2-yl)octahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-6-yl acetateDTXSID10950229CAA74928[(1S,2R,3S,5R,6R,7R,8S,9R,12R)-2-hydroxy-7-methyl-11-oxo-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.0^{2,7.0^{3,5]dodecane-6,2'-oxirane]-8-yl] acetate
Database identifiers
- CAS
27556-19-0- PubChem CID
- 214014
- DTXSID
DTXSID10950229
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 703
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Compound notes
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