Isodehydroeupatundin
Basic information
- CAS
85526-57-4- Standard SMILES
C=C1C(=O)OC2C1C(OC(=O)/C(C)=C\C)CC(C)=C1C(=O)C3OC3(C)C12O- InChIKey
VVRWWVNVJJSNPN-VURMDHGXSA-N- Molecular formula
- C20H22O7
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.13655304
Names & identifiers
- Preferred name
- Isodehydroeupatundin
- IUPAC
- (1-hydroxy-9,14-dimethyl-5-methylidene-4,11-dioxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl) (Z)-2-methylbut-2-enoate
Names & synonyms
Isodehydroeupatundin85526-57-4NSC352280DTXSID10419568NSC-3522808b-Hydroxy-6,8a-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl (2Z)-2-methylbut-2-enoate
Database identifiers
- CAS
85526-57-4- PubChem CID
- 5384663
- DTXSID
DTXSID10419568
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 866
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Related reactions
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Compound notes
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