6H-4,6a-Epoxychryseno(4,5-cde)oxepin-6,7-diol, 4,7-dihydro-, diacetate

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Basic information

CAS: 62533-87-3
Standard SMILES: CC(=O)OC1OC2OC13c1c(ccc4cccc2c14)-c1ccccc1C3OC(C)=O
InChIKey: NFISTGVMNQGORI-UHFFFAOYSA-N
Molecular formula: C24H18O6
Average molar mass: 402.4 g/mol
Monoisotopic mass: 402.11033829

Names & identifiers

Preferred name: 6H-4,6a-Epoxychryseno(4,5-cde)oxepin-6,7-diol, 4,7-dihydro-, diacetate
IUPAC: (19-acetyloxy-18,22-dioxahexacyclo[10.7.2.11,17.03,8.09,20.016,21]docosa-3,5,7,9(20),10,12(21),13,15-octaen-2-yl) acetate

Names & synonyms

62533-87-36H-4,6a-Epoxychryseno(4,5-cde)oxepin-6,7-diol, 4,7-dihydro-, diacetateDTXSID509781244,7-Dihydro-6H-4,6a-epoxychryseno[4,5-cde]oxepine-6,7-diyl diacetate

Database identifiers

CAS: 62533-87-3
PubChem CID: 188010
DTXSID: DTXSID50978124

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 71.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 30
Formal charge: 0
Complexity: 737

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Compound notes

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