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Substance Name: Cedronin
RN: 111567-19-2
InChIKey: FNBJCARFLWAAPK-UHFFFAOYSA-N

Note

  • A quassinoid with a C19 basic skeleton; isolated from Simaba cedron.

Molecular Formula

  • C19-H24-O7

Molecular Weight

  • 364.3916
 
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Names and Synonyms

Name of Substance

  • Cedronin

Synonym

  • (1R-(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-1,7,7a,11,11a,11b-Hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-2H-5a,2,5-(methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione

Systematic Name

  • 2H-5a,2,5-(Methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione, 1,7,7a,11,11a,11b-hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-, (1R-(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-

Registry Numbers

CAS Registry Number

  • 111567-19-2

System Generated Number

  • 0111567192

Structure Descriptors

InChI

1S/C19H24O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,10-15,21-23H,5-6H2,1-3H3

InChIKey

FNBJCARFLWAAPK-UHFFFAOYSA-N

Smiles

CC1=CC(=O)C(C2(C1CC(C34C2C(C5C(C3C(=O)O5)(OC4)C)O)O)C)O