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Substance Name: 12-O-Decanoylphorbol-13-(2-methylbutyrate)
RN: 250268-56-5
InChIKey: MJYTZOPOHSKFOT-ZAJMFEHASA-N

Molecular Formula

  • C35-H54-O8

Molecular Weight

  • 602.8036
 
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Names and Synonyms

Results Name

  • 12-O-Decanoylphorbol-13-(2-methylbutyrate)

Synonym

  • 12-O-Decanoylphorbol-13-(2-methylbutyrate)

Systematic Name

  • Decanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxobutoxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester

Registry Numbers

CAS Registry Number

  • 250268-56-5

System Generated Number

  • 0250268565

Structure Descriptors

InChI

1S/C35H54O8/c1-8-10-11-12-13-14-15-16-27(37)42-30-23(5)34(41)25(28-32(6,7)35(28,30)43-31(39)21(3)9-2)18-24(20-36)19-33(40)26(34)17-22(4)29(33)38/h17-18,21,23,25-26,28,30,36,40-41H,8-16,19-20H2,1-7H3/t21?,23-,25?,26?,28?,30-,33-,34-,35-/m1/s1

InChIKey

MJYTZOPOHSKFOT-ZAJMFEHASA-N

Smiles

CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2(C(C=C(C[C@]3(C2C=C(C3=O)C)O)CO)C4[C@@]1(C4(C)C)OC(=O)C(C)CC)O)C