Ansaetherone

AlkaPlorer ID: AK021418

Synonym: None

IUPAC Name: (6Z,7Z,9S,10R,11S)-6-ethylidene-14-hydroxy-11-(5-hydroxy-6-methyloxan-2-yl)oxy-4,8,10-trimethyl-17-oxa-2-azatricyclo[7.6.2.012,16]heptadeca-1(15),7,12(16),13-tetraene-3,5-dione

Structure

SMILES: C/C=C1/C=C(/C)[C@H]2OC3=C(C=C(O)C=C3[C@@H](OC3CCC(O)C(C)O3)[C@@H]2C)N=C(O)C(C)C1=O

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InChI: InChI=1S/C26H33NO7/c1-6-16-9-12(2)23-14(4)24(33-21-8-7-20(29)15(5)32-21)18-10-17(28)11-19(25(18)34-23)27-26(31)13(3)22(16)30/h6,9-11,13-15,20-21,23-24,28-29H,7-8H2,1-5H3,(H,27,31)/b12-9-,16-6-/t13?,14-,15?,20?,21?,23-,24+/m1/s1

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InChIKey: JSYTVJCZLSFGTM-HXROKWGRSA-N

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Source

Properties Information

Molecule Weight: 471.5500000000002

TPSA: 117.81

MolLogP: 4.432300000000003

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information