Di-O-methylcurvularin, (+-)-
Basic information
- CAS
17899-75-1- Standard SMILES
COc1cc2c(c(OC)c1)C(=O)CCCCCC(C)OC(=O)C2- InChIKey
GUOYHCBRIKZWKP-UHFFFAOYSA-N- Molecular formula
- C18H24O5
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.16237386
Names & identifiers
- Preferred name
- Di-O-methylcurvularin, (+-)-
- IUPAC
- 13,15-dimethoxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
Names & synonyms
MHI1308VKCDi-O-methylcurvularin, (+-)-UNII-MHI1308VKC17899-75-14,5,6,7,8,9-Hexahydro-11,13-dimethoxy-4-methyl-2H-3-benzoxacyclododecin-2,10(1H)-dioneRefChem:2004792H-3-BENZOXACYCLODODECIN-2,10(1H)-DIONE, 4,5,6,7,8,9-HEXAHYDRO-11,13-DIMETHOXY-4-METHYL-, (+-)-Di-O-methylcurvularin, (+/-)-2H-3-Benzoxacyclododecin-2,10(1H)-dione, 4,5,6,7,8,9-hexahydro-11,13-dimethoxy-4-methyl-, (+/-)-(+/-)-di-O-methylcurvularinGUOYHCBRIKZWKP-UHFFFAOYSA-N3-Oxabenzocyclododecene-2,10-dione, 4-methyl-11,13-dimethoxy-
Show more names
Q2789672011,13-Dimethoxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione #
Database identifiers
- CAS
17899-75-1- PubChem CID
- 614006
- UNII
- MHI1308VKC
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
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Compound notes
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