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Substance Name: Tomencephalin
RN: 115995-13-6
InChIKey: LLPXLHVIJKRQCO-UYXWQMAOSA-N

Note

  • From Montanoa tometosa ssp. microcephala.

Molecular Formula

  • C20-H24-O6

Molecular Weight

  • 360.404
 
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Names and Synonyms

Name of Substance

  • Tomencephalin

Systematic Name

  • 2-Butenoic acid, 3-methyl-, 2,3,3a,4,5,7,7a,8a,8b,8c-decahydro-4-hydroxy-6,8a-dimethyl-3-methylene-2-oxooxireno(2,3)azuleno(4,5-b)furan-5-yl ester, (3aR-(3aalpha,4alpha,5beta,7abeta,8abeta,8balpha,8cbeta))-

Registry Numbers

CAS Registry Number

  • 115995-13-6

System Generated Number

  • 0115995136

Structure Descriptors

InChI

1S/C20H24O6/c1-8(2)6-13(21)24-17-9(3)11-7-12-20(5,26-12)15(11)18-14(16(17)22)10(4)19(23)25-18/h6,12,14-18,22H,4,7H2,1-3,5H3/t12-,14-,15+,16-,17-,18+,20-/m1/s1

InChIKey

LLPXLHVIJKRQCO-UYXWQMAOSA-N

Smiles

C1([C@@H]2[C@@H](O)[C@@H](C(=C3[C@@H]([C@]4([C@@H](C3)O4)C)[C@H]2OC1=O)C)OC(\C=C(\C)C)=O)=C