3,4,5,5a,6,7,8,8a-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin

HCID 496629

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Basic information

CAS: 1217752-74-3
Standard SMILES: CC1=COC2OC3(C)CCC4C(C)CCC1C24OO3
InChIKey: UKXCIQFCSITOCY-UHFFFAOYSA-N
Molecular formula: C15H22O4
Average molar mass: 266.33 g/mol
Monoisotopic mass: 266.15180918

Names & identifiers

Preferred name: 3,4,5,5a,6,7,8,8a-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin
IUPAC: 1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-ene

Names & synonyms

1217752-74-33,4,5,5a,6,7,8,8a-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin3,4,5,5a,6,7,8,8a-Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepinRefChem:270514Dihydroartemisinin, 5-deshydroxy-6-deshydro-UKXCIQFCSITOCY-UHFFFAOYSA-NDTXSID5011222283,6,9-Trimethyl-3,4,5,5a,6,7,8,8a-octahydro-12H-3,12-epoxypyrano[4,3-j][1,2]benzodioxepine

Database identifiers

CAS: 1217752-74-3
PubChem CID: 496629
DTXSID: DTXSID501122228

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 36.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 434

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