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Substance Name: 12-Deoxyphorbol-13-nonenoate
RN: 74486-17-2
InChIKey: JTOSJBUQAZKIPJ-ALKSUFFTSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C30-H42-O6

Molecular Weight

  • 486.6448
 
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Names and Synonyms

Results Name

  • 12-Deoxyphorbol-13-nonenoate

Synonym

  • 12-Deoxyphorbol-13-nonenoate

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-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 9a-nonenoate

Registry Numbers

CAS Registry Number

  • 74486-17-2

System Generated Number

  • 0074486172

Structure Descriptors

InChI

1S/C29H42O6/c1-6-7-8-9-10-11-12-23(31)35-28-15-19(3)29(34)21(24(28)26(28,4)5)14-20(17-30)16-27(33)22(29)13-18(2)25(27)32/h11-14,19,21-22,24,30,33-34H,6-10,15-17H2,1-5H3/b12-11+/t19-,21+,22-,24-,27-,28+,29-/m1/s1

InChIKey

JTOSJBUQAZKIPJ-ALKSUFFTSA-N

Smiles

CCCCCC\C=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