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Substance Name: Quinovic acid glycoside 2
RN: 115569-78-3
UNII: P84Z2WDZ9J
InChIKey: BZXXSUZFEIFGEX-LCSOEGAZSA-N

Molecular Formula

  • C42-H66-O14

Molecular Weight

  • 794.9694
 
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Names and Synonyms

Name of Substance

  • Quinovic acid glycoside 2

Synonyms

  • Quinovic acid glycoside 2
  • UNII-P84Z2WDZ9J
  • URS-12-ENE-27,28-dioic acid, 3-((6-deoxy-3-o-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-, (3beta)-

Registry Numbers

CAS Registry Number

  • 115569-78-3

FDA UNII

  • P84Z2WDZ9J

System Generated Number

  • 0115569783

Structure Descriptors

InChI

1S/C42H66O14/c1-19-10-15-41(36(49)50)16-17-42(37(51)52)22(27(41)20(19)2)8-9-25-39(6)13-12-26(38(4,5)24(39)11-14-40(25,42)7)55-35-32(48)33(28(44)21(3)53-35)56-34-31(47)30(46)29(45)23(18-43)54-34/h8,19-21,23-35,43-48H,9-18H2,1-7H3,(H,49,50)(H,51,52)/t19-,20+,21-,23-,24+,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,39+,40-,41+,42-/m1/s1

InChIKey

BZXXSUZFEIFGEX-LCSOEGAZSA-N

Smiles

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)C)C)[C@@H]2[C@H]1C)C(=O)O)C(=O)O