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Substance Name: O-Methyl-gambogic acid methyl ester
RN: 2752-66-1
UNII: 5923P779OJ
InChIKey: LFSCNWNADRUBLS-SDVXXSCVSA-N

Molecular Formula

  • C40-H48-O8

Molecular Weight

  • 656.8112
 
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Names and Synonyms

Name of Substance

  • O-Methyl-gambogic acid methyl ester

Synonyms

  • 2-Butenoic acid, 2-methyl-4-((1R,3aS,5S,11R,14aS)-3a,4,5,7-tetrahydro-8-methoxy-3,3,11-trimethyl-13-(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo(3,4-g)pyrano(3,2-b)xanthen-1-yl)-, methyl ester, (2Z)-
  • Dimethylgambogic acid
  • Gambogic acid methyl ester monomethyl ether [MI]
  • Gambogic acid, O-methyl-, methyl ester
  • O-Methyl-gambogic acid methyl ester
  • O-Methyl-methyl gambogate
  • UNII-5923P779OJ

Registry Numbers

CAS Registry Number

  • 2752-66-1

FDA UNII

  • 5923P779OJ

System Generated Number

  • 0002752661

Structure Descriptors

InChI

1S/C40H48O8/c1-22(2)12-11-17-38(8)18-16-27-32(46-38)26(14-13-23(3)4)34-30(33(27)44-9)31(41)28-20-25-21-29-37(6,7)48-39(35(25)42,40(28,29)47-34)19-15-24(5)36(43)45-10/h12-13,15-16,18,20,25,29H,11,14,17,19,21H2,1-10H3/b24-15-/t25-,29+,38-,39+,40-/m1/s1

InChIKey

LFSCNWNADRUBLS-SDVXXSCVSA-N

Smiles

CC(=CCC[C@@]1(C=Cc2c(c(c3c(c2OC)C(=O)C4=C[C@@H]5C[C@@H]6[C@@]4(O3)[C@](C5=O)(OC6(C)C)C/C=C(/C)\C(=O)OC)CC=C(C)C)O1)C)C