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Substance Name: 4alpha-Phorbol-12-myristate-13-acetate
RN: 63597-44-4
InChIKey: PHEDXBVPIONUQT-LQLWEASQSA-N

Molecular Formula

  • C36-H56-O8

Molecular Weight

  • 616.83
 
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Names and Synonyms

Results Name

  • 4alpha-Phorbol-12-myristate-13-acetate

Synonym

  • 4alpha-Phorbol-12-myristate-13-acetate

Systematic Name

  • Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4aalpha,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 63597-44-4

System Generated Number

  • 0063597444

Structure Descriptors

InChI

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

InChIKey

PHEDXBVPIONUQT-LQLWEASQSA-N

Smiles

C1([C@@]2([C@@H]1[C@@H]1C=C(C[C@@]3([C@H]([C@@]1([C@@H]([C@H]2OC(=O)CCCCCCCCCCCCC)C)O)C=C(C)C3=O)O)CO)OC(=O)C)(C)C