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Substance Name: Phorbol 12,13-ditetradecanoate
RN: 37558-19-3
InChIKey: BIJXAQUZVQLIKU-NIZXKDGZSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C48-H80-O8

Molecular Weight

  • 785.152
 
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Names and Synonyms

Results Name

  • Phorbol 12,13-ditetradecanoate

Synonyms

  • Phorbol 12,13-dimyristate
  • Phorbol 12,13-ditetradecanoate

Systematic Name

  • Tetradecanoic 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-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-beta,8-alpha,9-beta,9a-alpha))-

Registry Numbers

CAS Registry Number

  • 37558-19-3

System Generated Number

  • 0037558193

Structure Descriptors

InChI

1S/C48H80O8/c1-7-9-11-13-15-17-19-21-23-25-27-29-40(50)55-44-36(4)47(54)38(32-37(34-49)33-46(53)39(47)31-35(3)43(46)52)42-45(5,6)48(42,44)56-41(51)30-28-26-24-22-20-18-16-14-12-10-8-2/h31-32,36,38-39,42,44,49,53-54H,7-30,33-34H2,1-6H3/t36-,38+,39-,42-,44-,46-,47-,48-/m1/s1

InChIKey

BIJXAQUZVQLIKU-NIZXKDGZSA-N

Smiles

C1(C(=C[C@H]2[C@@]3([C@@H](C=C(C[C@@]12O)CO)[C@@H]1[C@@]([C@@H]([C@H]3C)OC(CCCCCCCCCCCCC)=O)(C1(C)C)OC(CCCCCCCCCCCCC)=O)O)C)=O