rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one

HCID 15768242

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Basic information

CAS: 173429-81-7
Standard SMILES: COc1c(O)ccc2c(=O)c3c(O)c([C@H]4c5c(cc(O)c6c(=O)c7ccc(O)c(OC)c7n(C)c56)O[C@@H]4C(C)(C)O)c4c(c3n(C)c12)C=CC(C)(C)O4
InChIKey: YDFOOKXFYDNPMQ-MGPFPDDXSA-N
Molecular formula: C40H38N2O11
Average molar mass: 722.7 g/mol
Monoisotopic mass: 722.24756003

Names & identifiers

Preferred name: rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one
IUPAC: 5-[(1R,2S)-5,9-dihydroxy-2-(2-hydroxypropan-2-yl)-10-methoxy-11-methyl-6-oxo-1,2-dihydrofuro[2,3-c]acridin-1-yl]-6,10-dihydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

Names & synonyms

DTXSID401098240173429-81-7rel-3,12-Dihydro-6,10-dihydroxy-11-methoxy-3,3,12-trimethyl-5-[(1R,2S)-1,2,6,11-tetrahydro-5,9-dihydroxy-2-(1-hydroxy-1-methylethyl)-10-methoxy-11-methyl-6-oxofuro[2,3-c]acridin-1-yl]-7H-pyrano[2,3-c]acridin-7-one

Database identifiers

CAS: 173429-81-7
PubChem CID: 15768242
DTXSID: DTXSID401098240

Properties

Computed structural properties

XLogP: 6.3
Topological polar surface area: 179 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 13
Rotatable bonds: 4
Heavy atoms: 53
Formal charge: 0
Complexity: 1,470

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