Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 12-O-(2-Methylbutyroyl)phorbol-13-dodecanoate
RN: 250268-59-8
InChIKey: HNUDFMQYCDPTHE-QPUDZDCCSA-N

Molecular Formula

  • C37-H58-O8

Molecular Weight

  • 630.8572
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • 12-O-(2-Methylbutyroyl)phorbol-13-dodecanoate

Synonym

  • 12-O-(2-Methylbutyroyl)phorbol-13-dodecanoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 250268-59-8

System Generated Number

  • 0250268598

Structure Descriptors

InChI

1S/C37H58O8/c1-8-10-11-12-13-14-15-16-17-18-29(39)45-37-30(34(37,6)7)27-20-26(22-38)21-35(42)28(19-24(4)31(35)40)36(27,43)25(5)32(37)44-33(41)23(3)9-2/h19-20,23,25,27-28,30,32,38,42-43H,8-18,21-22H2,1-7H3/t23?,25-,27+,28-,30-,32-,35-,36-,37-/m1/s1

InChIKey

HNUDFMQYCDPTHE-QPUDZDCCSA-N

Smiles

CCCCCCCCCCCC(=O)O[C@@]12[C@@H](C1(C)C)[C@@H]3C=C(C[C@]4([C@H]([C@]3([C@@H]([C@H]2OC(=O)C(C)CC)C)O)C=C(C4=O)C)O)CO