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Substance Name: Phorbol 12,13-dioctanoate
RN: 37558-18-2
InChIKey: ICJPQGPENGQAOZ-MJINIDSISA-N

Molecular Formula

  • C36-H56-O8

Molecular Weight

  • 616.8304
 
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Names and Synonyms

Results Name

  • Phorbol 12,13-dioctanoate

Synonym

  • Phorbol, 12,13-dioctanoate

Systematic Name

  • Octanoic acid, 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, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 37558-18-2

System Generated Number

  • 0037558182

Structure Descriptors

InChI

1S/C36H56O8/c1-7-9-11-13-15-17-28(38)43-32-24(4)35(42)26(20-25(22-37)21-34(41)27(35)19-23(3)31(34)40)30-33(5,6)36(30,32)44-29(39)18-16-14-12-10-8-2/h19-20,24,26-27,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,26+,27-,30-,32-,34-,35-,36-/m1/s1

InChIKey

ICJPQGPENGQAOZ-MJINIDSISA-N

Smiles

CCCCCCCC(=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)CCCCCCC