Zygosporin D; 18-Epimer, 17-deoxo, 18-deoxy, 21-Ac

AlkaPlorer ID: AK318181

Synonym: 18-Deoxycytochalasin H, L 696474

IUPAC Name: (16-benzyl-12-hydroxy-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl) acetate

Structure

SMILES: C=C1C(C)C2C(CC3=CC=CC=C3)N=C(O)C23C(OC(C)=O)C=CC(C)CC(C)CC=CC3C1O

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InChI: InChI=1S/C30H39NO4/c1-18-10-9-13-24-28(33)21(4)20(3)27-25(17-23-11-7-6-8-12-23)31-29(34)30(24,27)26(35-22(5)32)15-14-19(2)16-18/h6-9,11-15,18-20,24-28,33H,4,10,16-17H2,1-3,5H3,(H,31,34)

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InChIKey: JVHIPYJQMFNCEK-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 477.64500000000027

TPSA: 79.12

MolLogP: 5.463500000000007

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information