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Substance Name: Nomilin glucoside
RN: 123564-62-5
InChIKey: GIVMXHQLQAIYEX-OJVPXVCRSA-N

Note

  • A limonoid glucoside in the peel of Citrus tangerina.

Molecular Formula

  • C34-H46-O15

Molecular Weight

  • 694.7224
 
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Names and Synonyms

Results Name

  • Nomilin glucoside

Synonyms

  • CCRIS 6987
  • Nomilin 17-O-beta-D-glucopyranoside
  • Nomilin glucoside

Systematic Names

  • Limonoic acid, 1-(acetyloxy)-1,4-deepoxy-19-deoxy-O17-beta-D-glucopyranosyl-4-hydroxy-, epsilon-lactone
  • Spiro(naphth(2,1-c)oxepin-8(5H),2'-oxirane)-3'-carboxylic acid, 1-(acetyloxy)-9-((S)-3-furanyl(beta-D-glucopyranosyloxy)methyl)dodecahydro-5,5,7a,9,11b-pentamethyl-3,7-dioxo-, (1R,2'R,3R,5aR,7aR,9S,11aR,11bR)-
  • Spiro(naphth(2,1-c)oxepin-8(5H),2'-oxirane)-3'-carboxylic acid, 1-(acetyloxy)-9-((S)-3-furanyl(beta-D-glucopyranosyloxy)methyl)dodecahydro-5,5,7a,9,11b-pentamethyl-3,7-dioxo-, (1R,3'R,5aR,7aR,8R,9S,11aR,11bR)-

Registry Numbers

CAS Registry Number

  • 123564-62-5

Other Registry Numbers

  • 141304-77-0
  • 338957-99-6

System Generated Number

  • 0123564625

Structure Descriptors

InChI

1S/C34H46O15/c1-15(36)45-21-12-22(38)48-30(2,3)19-11-20(37)33(6)18(32(19,21)5)7-9-31(4,34(33)27(49-34)28(42)43)26(16-8-10-44-14-16)47-29-25(41)24(40)23(39)17(13-35)46-29/h8,10,14,17-19,21,23-27,29,35,39-41H,7,9,11-13H2,1-6H3,(H,42,43)/t17-,18-,19+,21-,23-,24+,25-,26?,27+,29+,31+,32-,33+,34?/m1/s1

InChIKey

GIVMXHQLQAIYEX-OJVPXVCRSA-N

Smiles

CC(=O)O[C@@H]1CC(=O)OC([C@H]2[C@]1([C@H]3CC[C@@](C4([C@@]3(C(=O)C2)C)[C@@H](O4)C(=O)O)(C)C(c5ccoc5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C)C