Agn-PC-0jrxgp

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Basic information

CAS: 4918-77-8
Standard SMILES: CC1(C)C=CCC2(C)Oc3ccccc3CC2CCC2(C)Oc3ccccc3CC2C1
InChIKey: ISSPUSZYYOWQJE-UHFFFAOYSA-N
Molecular formula: C29H36O2
Average molar mass: 416.6 g/mol
Monoisotopic mass: 416.27153039

Names & identifiers

Preferred name: Agn-PC-0jrxgp
IUPAC: 4,15,15,19-tetramethyl-5,20-dioxapentacyclo[17.8.0.04,13.06,11.021,26]heptacosa-6,8,10,16,21,23,25-heptaene

Names & synonyms

4918-77-8AGN-PC-0JRXGPDTXSID703332565a,9,9,16a-Tetramethyl-5a,6,9,10,10a,16a,17,18,18a,19-decahydro-11H-dibenzo[e,e']cycloundeca[1,11-b:5,4-b']dipyran

Database identifiers

CAS: 4918-77-8
PubChem CID: 494897
DTXSID: DTXSID70333256

Properties

Computed structural properties

XLogP: 7.7
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 31
Formal charge: 0
Complexity: 668

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