(6S,7R,8R)-6-hydroxy-6',7'-dimethoxy-2'-methyl-3',4',6,8-tetrahydro-2H-spiro[indeno[4,5-d][1,3]dioxole-7,1'-isoquinoline]-8-yl acetate

AlkaPlorer ID: AK269271

Synonym: None

IUPAC Name: [(1R,6'S,8'R)-6'-hydroxy-6,7-dimethoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-8'-yl] acetate

Structure

SMILES: COC1=CC2=C(C=C1OC)[C@@]1([C@H](OC(C)=O)C3=C4OCOC4=CC=C3[C@@H]1O)N(C)CC2

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InChI: InChI=1S/C23H25NO7/c1-12(25)31-22-19-14(5-6-16-20(19)30-11-29-16)21(26)23(22)15-10-18(28-4)17(27-3)9-13(15)7-8-24(23)2/h5-6,9-10,21-22,26H,7-8,11H2,1-4H3/t21-,22+,23+/m0/s1

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InChIKey: QBMUUVHMWQFUNH-YTFSRNRJSA-N

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Source

Properties Information

Molecule Weight: 427.4530000000002

TPSA: 86.69000000000001

MolLogP: 2.4671000000000003

Number of H-Donors: 1

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information