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Substance Name: 12-Deoxyphorbol-13alpha-methylbutyrate
RN: 28152-97-8
InChIKey: UTWPUNYNNNYPEZ-ABNKIXKLSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C25-H36-O6

Molecular Weight

  • 432.5534
 
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Names and Synonyms

Results Name

  • 12-Deoxyphorbol-13alpha-methylbutyrate

Synonyms

  • 12-Deoxy-phorbol-13-alpha-methylbutyrate
  • 12-Deoxyphorbol-13-(2-methylbutyrate)

Systematic Name

  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-4a-beta,7b-alpha,9a-alpha-trihydroxy-, 9a-(2-methylbutyrate)

Registry Numbers

CAS Registry Number

  • 28152-97-8

System Generated Number

  • 0028152978

Structure Descriptors

InChI

1S/C25H36O6/c1-7-13(2)21(28)31-24-10-15(4)25(30)17(19(24)22(24,5)6)9-16(12-26)11-23(29)18(25)8-14(3)20(23)27/h8-9,13,15,17-19,26,29-30H,7,10-12H2,1-6H3/t13?,15-,17+,18-,19-,23-,24+,25-/m1/s1

InChIKey

UTWPUNYNNNYPEZ-ABNKIXKLSA-N

Smiles

CCC(C)C(=O)O[C@@]12C[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