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Substance Name: 12-Deoxyphorbol 13-hexanonate
RN: 92118-02-0
InChIKey: IMCDKLIANBMDTE-WTTAHTOMSA-N

Molecular Formula

  • C26-H38-O6

Molecular Weight

  • 446.5802
 
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Names and Synonyms

Results Name

  • 12-Deoxyphorbol 13-hexanonate

Synonym

  • 12-Deoxyphorbol 13-hexanonate

Systematic Name

  • Hexanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha))-

Registry Numbers

CAS Registry Number

  • 92118-02-0

System Generated Number

  • 0092118020

Structure Descriptors

InChI

1S/C26H38O6/c1-6-7-8-9-20(28)32-25-12-16(3)26(31)18(21(25)23(25,4)5)11-17(14-27)13-24(30)19(26)10-15(2)22(24)29/h10-11,16,18-19,21,27,30-31H,6-9,12-14H2,1-5H3/t16-,18+,19-,21-,24-,25+,26-/m1/s1

InChIKey

IMCDKLIANBMDTE-WTTAHTOMSA-N

Smiles

CCCCCC(=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