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Substance Name: Montacephalin
RN: 115995-12-5
InChIKey: AGGJZXSACXUOJX-ILCCUAOLSA-N

Note

  • From Montanoa tomentosa ssp. microcephala.

Molecular Formula

  • C20-H22-O7

Molecular Weight

  • 374.3868
 
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Names and Synonyms

Name of Substance

  • Montacephalin

Systematic Name

  • 2-Butenoic acid, 3-methyl-, 2,3,3a,4,5,7,9a,9b-octahydro-4,9a-dihydroxy-6,9-dimethyl-3-methylene-2,7-dioxoazuleno(4,5-b)furan-5-yl ester, (3aR-(3aalpha,4alpha,5beta,9aalpha,9bbeta))-

Registry Numbers

CAS Registry Number

  • 115995-12-5

System Generated Number

  • 0115995125

Structure Descriptors

InChI

1S/C20H22O7/c1-8(2)6-13(22)26-17-11(5)15-12(21)7-9(3)20(15,25)18-14(16(17)23)10(4)19(24)27-18/h6-7,14,16-18,23,25H,4H2,1-3,5H3/t14-,16-,17-,18+,20-/m1/s1

InChIKey

AGGJZXSACXUOJX-ILCCUAOLSA-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(=CC(=O)C3=C1C)C)C