7,7,17-Trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,6,9,18-tetrone

HCID 429809

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Basic information

CAS: 23370-30-1
Standard SMILES: CC1C(=O)C23CC1CCC2C12COC(=O)C1C(C)(C)C(=O)CC2OC3=O
InChIKey: XQFUDXUFXWRXBU-UHFFFAOYSA-N
Molecular formula: C20H24O6
Average molar mass: 360.4 g/mol
Monoisotopic mass: 360.15728848

Names & identifiers

Preferred name: 7,7,17-Trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,6,9,18-tetrone
IUPAC: 7,7,17-trimethyl-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,6,9,18-tetrone

Names & synonyms

NSC26533723370-30-1SCHEMBL27182706DTXSID10330486NSC-2653371,1,7-Trimethyloctahydro-5H,11H-5a,8-methanocyclohepta[c]furo[3,4-e][1]benzopyran-2,5,6,13(7H)-tetrone

Database identifiers

CAS: 23370-30-1
PubChem CID: 429809
DTXSID: DTXSID10330486

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 86.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 26
Formal charge: 0
Complexity: 768

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