Acybolins; Acybolin B, 5-Deoxy

AlkaPlorer ID: AK283259

Synonym: Acybolin A

IUPAC Name: None

Structure

SMILES: CCCCCCCC(O)CC(=O)NCC(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC1C2CC(O)CC(O)=C2C(=O)OC1(C)C(Cl)Cl

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InChI: InChI=1S/C32H51Cl2N5O10/c1-6-7-8-9-10-11-19(40)14-23(43)35-15-24(44)36-16(2)27(45)37-17(3)28(46)38-18(4)29(47)39-26-21-12-20(41)13-22(42)25(21)30(48)49-32(26,5)31(33)34/h16-21,26,31,40-42H,6-15H2,1-5H3,(H,35,43)(H,36,44)(H,37,45)(H,38,46)(H,39,47)

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InChIKey: WIWJNSPOBYYXJJ-UHFFFAOYSA-N

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Reference

CAS: 1962998-00-0

Properties Information

Molecule Weight: 736.6910000000001

TPSA: 232.48999999999995

MolLogP: 0.9152000000000056

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information