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Substance Name: 13-O-Tigloylphorbol-20-linoleate
RN: 250268-54-3
InChIKey: XVWMMWFBGOHQFS-OSFSTWJBSA-N

Molecular Formula

  • C43-H64-O8

Molecular Weight

  • 708.9706
 
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Names and Synonyms

Results Name

  • 13-O-Tigloylphorbol-20-linoleate

Synonym

  • 13-O-Tigloylphorbol-20-linoleate

Systematic Name

  • 9,12-Octadecadienoic acid (9Z,12Z)-, ((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9-trihydroxy-1,1,6,8-tetramethyl-9a-(((2E)-2-methyl-1-oxo-2-butenyl)oxy)-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-3-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 250268-54-3

System Generated Number

  • 0250268543

Structure Descriptors

InChI

1S/C43H64O8/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-35(44)50-28-32-26-33-36-40(6,7)43(36,51-39(47)29(3)9-2)38(46)31(5)42(33,49)34-25-30(4)37(45)41(34,48)27-32/h9,13-14,16-17,25-26,31,33-34,36,38,46,48-49H,8,10-12,15,18-24,27-28H2,1-7H3/b14-13-,17-16-,29-9+/t31-,33+,34-,36-,38-,41-,42-,43-/m1/s1

InChIKey

XVWMMWFBGOHQFS-OSFSTWJBSA-N

Smiles

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@](C3(C)C)([C@@H]([C@H]([C@@]2([C@@H]4C=C(C(=O)[C@]4(C1)O)C)O)C)O)OC(=O)/C(=C/C)/C