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Substance Name: 12-O-Tigloylphorbol-13-(2-methylbutyrate)
RN: 250268-57-6
InChIKey: AKFIXMYXISUTAF-XGISRZLOSA-N

Molecular Formula

  • C30-H42-O8

Molecular Weight

  • 530.6538
 
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Names and Synonyms

Results Name

  • 12-O-Tigloylphorbol-13-(2-methylbutyrate)

Synonym

  • 12-O-Tigloylphorbol-13-(2-methylbutyrate)

Systematic Name

  • 2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9a-(2-methyl-1-oxobutoxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (2E)-(

Registry Numbers

CAS Registry Number

  • 250268-57-6

System Generated Number

  • 0250268576

Structure Descriptors

InChI

1S/C30H42O8/c1-9-15(3)25(33)37-24-18(6)29(36)20(22-27(7,8)30(22,24)38-26(34)16(4)10-2)12-19(14-31)13-28(35)21(29)11-17(5)23(28)32/h9,11-12,16,18,20-22,24,31,35-36H,10,13-14H2,1-8H3/b15-9-/t16?,18-,20?,21?,22?,24-,28-,29-,30-/m1/s1

InChIKey

AKFIXMYXISUTAF-XGISRZLOSA-N

Smiles

CCC(C)C(=O)O[C@@]12[C@H](OC(=O)\C(=C/C)\C)[C@@H](C)[C@@]3(O)C(C=C(CO)C[C@@]4(O)C3C=C(C)C4=O)C1C2(C)C