Enacyloxin IIb; 18'-Dechloro

AlkaPlorer ID: AK297424

Synonym: Enacyloxin Ib

IUPAC Name: None

Structure

SMILES: CC/C=C/C(CC(O)CC(=O)C(O)C(O)C(C)/C(Cl)=C/C=C/C=C(C)/C=C/C=C/C(=O)OC1CCC(C(=O)O)CC1O)OC(N)=O

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InChI: InChI=1S/C33H46ClNO11/c1-4-5-12-24(45-33(35)44)18-23(36)19-27(38)31(41)30(40)21(3)25(34)13-8-6-10-20(2)11-7-9-14-29(39)46-28-16-15-22(32(42)43)17-26(28)37/h5-14,21-24,26,28,30-31,36-37,40-41H,4,15-19H2,1-3H3,(H2,35,44)(H,42,43)/b8-6+,11-7+,12-5+,14-9+,20-10+,25-13-

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InChIKey: GRGHBOBWGTWRED-UEHGFFSTSA-N

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Reference

CAS: 165338-01-2

Source

Properties Information

Molecule Weight: 668.1800000000003

TPSA: 213.91

MolLogP: 3.3796000000000013

Number of H-Donors: 6

Number of H-Acceptors: 10

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information