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Substance Name: 12-Deoxyphorbol-13-decdienoate-20-acetate
RN: 56726-04-6
InChIKey: MHHOFHXINHCPQQ-UITBEDRYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C32-H44-O7

Molecular Weight

  • 540.6926
 
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Names and Synonyms

Results Name

  • 12-Deoxyphorbol-13-decdienoate-20-acetate

Synonyms

  • 12-Deoxy-phorbol, 20-acetate-13-decadienoate
  • 12-Deoxy-phorbol-13-decdienoate-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-decadienoate

Registry Numbers

CAS Registry Number

  • 56726-04-6

System Generated Number

  • 0056726046

Structure Descriptors

InChI

1S/C32H44O7/c1-7-8-9-10-11-12-13-14-26(34)39-31-17-21(3)32(37)24(27(31)29(31,5)6)16-23(19-38-22(4)33)18-30(36)25(32)15-20(2)28(30)35/h11-16,21,24-25,27,36-37H,7-10,17-19H2,1-6H3/b12-11+,14-13+/t21-,24+,25-,27-,30-,31+,32-/m1/s1

InChIKey

MHHOFHXINHCPQQ-UITBEDRYSA-N

Smiles

CCCCC\C=C\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