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Substance Name: Phorbol dibutyrate
RN: 61557-88-8
InChIKey: BQJRUJTZSGYBEZ-YVQNUNKESA-N

Molecular Formula

  • C28-H40-O8

Molecular Weight

  • 504.616
 
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Names and Synonyms

Results Name

  • Phorbol dibutyrate

Synonym

  • Phorbol dibutyrate

Systematic Names

  • Butanoic acid, (1aR,1bS,4aR,7bS,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester
  • Butanoic acid, diester with 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydro-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropya(3,4)benz(1,2-e)azulen-5-one, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 61557-88-8

System Generated Number

  • 0061557888

Structure Descriptors

InChI

1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1

InChIKey

BQJRUJTZSGYBEZ-YVQNUNKESA-N

Smiles

CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)CCC