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Substance Name: 12-Deoxyphorbol-13-nonenoate-20-acetate
RN: 74486-15-0
InChIKey: BRRWMVZHRHJLKW-SJLQQPCLSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C31-H44-O7

Molecular Weight

  • 528.6816
 
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Names and Synonyms

Results Name

  • 12-Deoxyphorbol-13-nonenoate-20-acetate

Synonym

  • 12-Deoxyphorbol-13-nonenoate-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-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 3-acetate 9a-nonenoate

Registry Numbers

CAS Registry Number

  • 74486-15-0

System Generated Number

  • 0074486150

Structure Descriptors

InChI

1S/C31H44O7/c1-7-8-9-10-11-12-13-25(33)38-30-16-20(3)31(36)23(26(30)28(30,5)6)15-22(18-37-21(4)32)17-29(35)24(31)14-19(2)27(29)34/h12-15,20,23-24,26,35-36H,7-11,16-18H2,1-6H3/b13-12+/t20-,23+,24-,26-,29-,30+,31-/m1/s1

InChIKey

BRRWMVZHRHJLKW-SJLQQPCLSA-N

Smiles

CCCCCC\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