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Substance Name: Xanthochymol
RN: 52617-32-0
InChIKey: ZLMZRAYSIVLUPA-UHFFFAOYSA-N

Note

  • Isolated from the fruits of Garcinia pyrifera collected in Malaysia.

Molecular Formula

  • C38-H50-O6

Molecular Weight

  • 602.807
 
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Names and Synonyms

Name of Substance

  • Xanthochymol

Synonyms

  • NSC 247527
  • Xanthochymol

Systematic Name

  • Bicyclo(3.3.1)non-3-ene-2,9-dione, 3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methyl-2-butenyl)-5-(5-methyl-2-(1-methylethenyl)-5-hexenyl)-, (1S-(1alpha,5alpha,5(S*),7beta))- (9CI)

Registry Numbers

CAS Registry Number

  • 52617-32-0

System Generated Number

  • 0052617320

Structure Descriptors

InChI

1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-37-21-28(15-12-23(3)4)36(9,10)38(35(37)44,18-17-24(5)6)34(43)31(33(37)42)32(41)26-14-16-29(39)30(40)19-26/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3

InChIKey

ZLMZRAYSIVLUPA-UHFFFAOYSA-N

Smiles

C1(=C([C@@]2(C([C@@](C\C=C(/C)C)(C([C@@H](C2)C\C=C(/C)C)(C)C)C1=O)=O)C[C@@H](C(=C)C)CCC(=C)C)O)C(c1cc(O)c(cc1)O)=O