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Substance Name: 5-Hydroxytomacephalin
RN: 115995-14-7
InChIKey: GUWZDJYPWDNEPS-BJKYDIMVSA-N

Note

  • From Montanoa tomentosa ssp. microcephala.

Molecular Formula

  • C20-H24-O7

Molecular Weight

  • 376.4026
 
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Names and Synonyms

Name of Substance

  • 5-Hydroxytomacephalin

Systematic Name

  • 2-Butenoic acid, 3-methyl-, 2,3,3a,4,5,7,7a,8a,8b,8c-decahydro-4,8b-dihydroxy-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

  • 115995-14-7

System Generated Number

  • 0115995147

Structure Descriptors

InChI

1S/C20H24O7/c1-8(2)6-13(21)25-16-9(3)11-7-12-19(5,27-12)20(11,24)17-14(15(16)22)10(4)18(23)26-17/h6,12,14-17,22,24H,4,7H2,1-3,5H3/t12-,14-,15-,16-,17+,19-,20-/m1/s1

InChIKey

GUWZDJYPWDNEPS-BJKYDIMVSA-N

Smiles

CC(=CC(=O)O[C@H]1[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@]3(O)C(=C1C)C[C@H]4O[C@@]34C)C