(1S,13R,15R,16S,18R,19R)-9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.0¹,¹³.0²,¹⁰.0⁴,⁸.0¹⁶,¹⁸]icosa-2(10),3,8-trien-19-yl acetate

AlkaPlorer ID: AK239431

Synonym: None

IUPAC Name: [(1S,13R,15R,16S,18R,19R)-9,15-dimethoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-trien-19-yl] acetate

Structure

SMILES: COC1=C2CN3C[C@H](OC(C)=O)[C@@]4(C2=CC2=C1OCO2)[C@H]1O[C@H]1[C@H](OC)C[C@@H]34

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InChI: InChI=1S/C20H23NO7/c1-9(22)27-15-7-21-6-10-11(4-13-17(16(10)24-3)26-8-25-13)20(15)14(21)5-12(23-2)18-19(20)28-18/h4,12,14-15,18-19H,5-8H2,1-3H3/t12-,14-,15+,18+,19+,20+/m1/s1

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InChIKey: HUKHZLUIPVCSIS-KKDMEDJGSA-N

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Source

Properties Information

Molecule Weight: 389.40400000000017

TPSA: 78.99000000000001

MolLogP: 0.9772999999999996

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information