Salarin A; 16,17-Deepoxy, 17ξ-chloro, 16β-hydroxy

AlkaPlorer ID: AK312812

Synonym: Salarin G

IUPAC Name: [6-[11-acetyl-2-(acetylcarbamoyloxy)-14-methyl-5,10,12-trioxo-4,18-dioxa-11-azabicyclo[15.1.0]octadeca-6,8,13-trien-3-yl]-5-chloro-6-hydroxyhex-3-enyl] octanoate

Structure

SMILES: CCCCCCCC(=O)OCCC=CC(Cl)C(O)C1OC(=O)C=CC=CC(=O)N(C(C)=O)C(=O)C=C(C)CCC2OC2C1OC(=O)NC(C)=O

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InChI: InChI=1S/C35H47ClN2O12/c1-5-6-7-8-9-16-29(43)47-20-13-12-14-25(36)31(45)33-34(50-35(46)37-23(3)39)32-26(48-32)19-18-22(2)21-28(42)38(24(4)40)27(41)15-10-11-17-30(44)49-33/h10-12,14-15,17,21,25-26,31-34,45H,5-9,13,16,18-20H2,1-4H3,(H,37,39,46)

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InChIKey: CJRQBWUJJJGIOX-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 723.2160000000001

TPSA: 195.21

MolLogP: 3.879400000000002

Number of H-Donors: 2

Number of H-Acceptors: 12

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information