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Substance Name: Odoratrin
RN: 71252-72-7
InChIKey: WDTQMUHLTIKXFS-JXXNAEBBSA-N

Molecular Weight

  • 648.745
 
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Names and Synonyms

Results Name

  • Odoratrin

Synonyms

  • Daphne factor P2
  • Odoratrin

Systematic Name

  • 6H-2,8b-Epoxyoxireno(6,7)azuleno(5,4-e)-1,3-benzodioxol-6-one,dodecahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-10-(((2E,4E,6E)-1-oxo-2,4,6-decatrienyl)oxy)-2-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,7S,8aR,8bR,9R,10R,10aS)-

Registry Numbers

CAS Registry Number

  • 71252-72-7

System Generated Number

  • 0071252727

Structure Descriptors

InChI

1S/C37H44O10/c1-6-7-8-9-10-11-15-18-26(39)43-29-23(5)36-25-19-22(4)28(40)34(25,42)32(41)33(20-38)30(44-33)27(36)31-35(29,21(2)3)46-37(45-31,47-36)24-16-13-12-14-17-24/h8-18,22-23,25,27,29-32,38,41-42H,2,6-7,19-20H2,1,3-5H3/b9-8+,11-10+,18-15+

InChIKey

WDTQMUHLTIKXFS-JXXNAEBBSA-N

Smiles

C1([C@@]2([C@@H]([C@@]34O[C@@]5(O[C@@H]([C@@H]4[C@@H]4O[C@@]4(CO)[C@@H]2O)[C@@]([C@@H](OC(\C=C\C=C\C=C\CCC)=O)[C@@H]3C)(C(C)=C)O5)c2ccccc2)C[C@@H]1C)O)=O