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Substance Name: 12-O-Acetylphorbol-13-tigliate
RN: 250268-55-4
InChIKey: XKHUBMMYSWHMHN-ZMIJIPAXSA-N

Molecular Formula

  • C27-H36-O8

Molecular Weight

  • 488.5734
 
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Names and Synonyms

Results Name

  • 12-O-Acetylphorbol-13-tigliate

Synonym

  • 12-O-Acetylphorbol-13-tigliate

Systematic Name

  • 2-Butenoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9-(acetyloxy)-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, (2E)-(

Registry Numbers

CAS Registry Number

  • 250268-55-4

System Generated Number

  • 0250268554

Structure Descriptors

InChI

1S/C27H36O8/c1-8-13(2)23(31)35-27-20(24(27,6)7)18-10-17(12-28)11-25(32)19(9-14(3)21(25)30)26(18,33)15(4)22(27)34-16(5)29/h8-10,15,18-20,22,28,32-33H,11-12H2,1-7H3/b13-8-/t15-,18?,19?,20?,22-,25-,26-,27-/m1/s1

InChIKey

XKHUBMMYSWHMHN-ZMIJIPAXSA-N

Smiles

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