1b,6,8-Trihydroxy-6a-methyl-8-(prop-1-en-2-yl)hexahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-3(2h)-one
Basic information
- Standard SMILES
C=C(C)C1(O)C2OC(=O)C1C1(O)C3OC3C3(CO3)C1(C)C2O- InChIKey
DWCJGLPGZULWPZ-UHFFFAOYSA-N- Molecular formula
- C15H18O7
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.10525291
Names & identifiers
- Preferred name
- 1b,6,8-Trihydroxy-6a-methyl-8-(prop-1-en-2-yl)hexahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-3(2h)-one
- IUPAC
- 2,8,12-trihydroxy-7-methyl-12-prop-1-en-2-ylspiro[4,10-dioxatetracyclo[7.2.1.02,7.03,5]dodecane-6,2'-oxirane]-11-one
Names & synonyms
1b,6,8-trihydroxy-6a-methyl-8-(prop-1-en-2-yl)hexahydrospiro[2,5-methanooxireno[3,4]cyclopenta[1,2-d]oxepine-7,2'-oxiran]-3(2h)-oneSCHEMBL4903631DTXSID80871891
Database identifiers
- PubChem CID
- 94265
- DTXSID
DTXSID80871891
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 648
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Compound notes
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