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Substance Name: Pedilstatin
RN: 70028-76-1
InChIKey: AHEHQOBLHNRXIN-APHNWGNCSA-N

Note

  • From a republic of maldives Pedilanthus sp.

Molecular Formula

  • C30-H40-O7

Molecular Weight

  • 512.639
 
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Names and Synonyms

Results Name

  • Pedilstatin

Synonyms

  • 12-O-2Z-4E- Octadienoyl-4-deoxyphorbol-13-acetate
  • 13-O-Acetyl-12-O-(2'Z,4'E-octadienoyl)-4alpha-deoxyphorbol
  • Pedilstatin

Systematic Name

  • 2,4-Octadienoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta(2Z,4E),9aalpha))-

Registry Numbers

CAS Registry Number

  • 70028-76-1

System Generated Number

  • 0070028761

Structure Descriptors

InChI

1S/C30H40O7/c1-7-8-9-10-11-12-23(33)36-27-18(3)24-21(26-28(5,6)30(26,27)37-19(4)32)13-20(16-31)14-22-25(34)17(2)15-29(22,24)35/h9-13,15,18,21-22,24,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22+,24-,26+,27+,29-,30+/m0/s1

InChIKey

AHEHQOBLHNRXIN-APHNWGNCSA-N

Smiles

CCC\C=C\C=C/C(=O)O[C@@H]1[C@@H](C)[C@H]2[C@@H](C=C(CO)C[C@@H]3C(=O)C(=C[C@@]23O)C)[C@@H]4C(C)(C)[C@]14OC(=O)C