SF-837 A4

AlkaPlorer ID: AK326458

Synonym: None

IUPAC Name: [6-[4-(dimethylamino)-5-hydroxy-6-[[(11E,13E)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate

Structure

SMILES: CCCC(=O)OC1C(C)OC(OC2C(C)OC(OC3C(CC=O)CC(C)C(=O)/C=C/C=C/CC(C)OC(=O)CC(OC(=O)CC)C3OC)C(O)C2N(C)C)CC1(C)O

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InChI: InChI=1S/C42H67NO15/c1-11-16-32(47)56-40-27(6)53-34(23-42(40,7)50)57-37-26(5)54-41(36(49)35(37)43(8)9)58-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(48)22-30(39(38)51-10)55-31(46)12-2/h13-15,18,20,24-28,30,34-41,49-50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+

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InChIKey: NLUFZUPOQMATMY-UUVOMYAKSA-N

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Properties Information

Molecule Weight: 825.99

TPSA: 202.89

MolLogP: 3.365700000000007

Number of H-Donors: 2

Number of H-Acceptors: 16

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information