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Substance Name: Octanoic acid, ester with phorbol tiglate
RN: 11034-13-2
InChIKey: RRYBLFVGRWGXLH-BBSRFDCESA-N

Molecular Formula

  • C33-H48-O8

Molecular Weight

  • 572.7342
 
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Names and Synonyms

Results Name

  • Octanoic acid, ester with phorbol tiglate

Synonyms

  • Octanoic acid, ester with phorbol tiglate
  • Octanoic acid, monoester with phorbol mono((E)-2-methylcrotonate)
  • Phorbol, monooctanoate mono(2-methylcrotonate), (E)-

Systematic Name

  • Octanoic acid, monoester with (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one mono((E)-2-methyl-2-butenoate)

Registry Numbers

CAS Registry Number

  • 11034-13-2

System Generated Number

  • 0011034132

Structure Descriptors

InChI

1S/C33H48O8/c1-8-10-11-12-13-14-25(35)41-33-26(30(33,6)7)23-16-22(18-34)17-31(38)24(15-20(4)27(31)36)32(23,39)21(5)28(33)40-29(37)19(3)9-2/h9,15-16,21,23-24,26,28,34,38-39H,8,10-14,17-18H2,1-7H3/b19-9+/t21-,23+,24-,26-,28-,31-,32-,33-/m1/s1

InChIKey

RRYBLFVGRWGXLH-BBSRFDCESA-N

Smiles

CCCCCCCC(=O)O[C@@]12[C@H](OC(=O)\C(=C\C)\C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)C4=O)[C@@H]1C2(C)C