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Substance Name: Ingenol 2,4,6,8,10-tetradecapentaenoate
RN: 42483-56-7
InChIKey: XFAWWGCMJACTJT-YUKCMHQISA-N

Molecular Formula

  • C34-H44-O6

Molecular Weight

  • 548.716
 
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Names and Synonyms

Results Name

  • Ingenol 2,4,6,8,10-tetradecapentaenoate

Synonym

  • Ingenol 2,4,6,8,10-tetradecapentaenoate

Registry Numbers

CAS Registry Number

  • 42483-56-7

System Generated Number

  • 0042483567

Structure Descriptors

InChI

1S/C34H44O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-27(36)40-31-22(2)20-33-23(3)18-26-28(32(26,4)5)25(30(33)38)19-24(21-35)29(37)34(31,33)39/h8-17,19-20,23,25-26,28-29,31,35,37,39H,6-7,18,21H2,1-5H3/b9-8+,11-10+,13-12+,15-14+,17-16+

InChIKey

XFAWWGCMJACTJT-YUKCMHQISA-N

Smiles

C1=C(CO)[C@@H](O)[C@@]2(O)[C@@]3(C=C([C@@H]2OC(\C=C\C=C\C=C\C=C\C=C\CCC)=O)C)[C@@H](C)C[C@@H]2[C@@H]([C@@H]1C3=O)C2(C)C