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Substance Name: Octahydromezerein
RN: 124392-15-0
InChIKey: PXVGITCSLQQEDI-UHFFFAOYSA-N

Note

  • Protein kinase C activator & mouse skin tumor promoter.

Molecular Formula

  • C38-H46-O10

Molecular Weight

  • 662.771
 
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Names and Synonyms

Name of Substance

  • Octahydromezerein

Systematic Name

  • Daphnetoxin, 1,2,15,16-tetrahydro-12-((1-oxo-5-phenylpentyl)oxy)-

Registry Numbers

CAS Registry Number

  • 124392-15-0

System Generated Number

  • 0124392150

Structure Descriptors

InChI

1S/C38H46O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-10,13-14,16-17,21-23,26,28,30-33,39,42-43H,11-12,15,18-20H2,1-4H3

InChIKey

PXVGITCSLQQEDI-UHFFFAOYSA-N

Smiles

c1(ccccc1)[C@@]12O[C@@]3([C@@H]([C@@H]([C@@]4([C@@H]([C@@H]3O1)[C@@H]1O[C@@]1(CO)[C@@H]([C@@]1([C@@H]4C[C@@H](C1=O)C)O)O)O2)C)OC(CCCCc1ccccc1)=O)C(C)C