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Substance Name: 12-Deoxyphorbol-13-dodecenoate-20-acetate
RN: 56530-50-8
InChIKey: XQGKBSKEESWENX-KNOOQVDJSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C34-H50-O7

Molecular Weight

  • 570.762
 
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Names and Synonyms

Results Name

  • 12-Deoxyphorbol-13-dodecenoate-20-acetate

Synonyms

  • 12-Deoxy-phorbol, 20-acetate-13-dodecenoate
  • 12-Deoxy-phorbol-13-dodecenoate-20-acetate

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-(acetoxymethyl)-1,1,6,8-alpha-tetramethyl-4a-beta,7b-alpha,9a-alpha-trihydroxy-, 9a-dodecenoate

Registry Numbers

CAS Registry Number

  • 56530-50-8

System Generated Number

  • 0056530508

Structure Descriptors

InChI

1S/C34H50O7/c1-7-8-9-10-11-12-13-14-15-16-28(36)41-33-19-23(3)34(39)26(29(33)31(33,5)6)18-25(21-40-24(4)35)20-32(38)27(34)17-22(2)30(32)37/h15-18,23,26-27,29,38-39H,7-14,19-21H2,1-6H3/b16-15+/t23-,26+,27-,29-,32-,33+,34-/m1/s1

InChIKey

XQGKBSKEESWENX-KNOOQVDJSA-N

Smiles

CCCCCCCCC\C=C\C(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(COC(=O)C)C[C@@]4(O)[C@H]3C=C(C)C4=O)[C@@H]1C2(C)C