1,2-O-Diacetylzephyranthine

AlkaPlorer ID: AK007727

Synonym: ''

IUPAC Name: [(1S,15R,17R,18S,19R)-18-acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate

Structure

SMILES: CC(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CN3CC[C@H](C[C@H]1OC(C)=O)[C@H]23)OCO4

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InChI: InChI=1S/C20H23NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h6-7,12,17-20H,3-5,8-9H2,1-2H3/t12-,17-,18+,19-,20-/m1/s1

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InChIKey: IUKYXZADSGGCJJ-UJXPUUNTSA-N

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Source

Properties Information

Molecule Weight: 373.40500000000014

TPSA: 74.3

MolLogP: 1.9701

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information