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Substance Name: Nomilin
RN: 1063-77-0
UNII: DRM0753K4T
InChIKey: KPDOJFFZKAUIOE-WNGDLQANSA-N

Note

  • Bitter principle found in CITRUS fruits.

Molecular Formula

  • C28-H34-O9

Molecular Weight

  • 514.568
 
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Names and Synonyms

Name of Substance

  • Nomilin

Synonyms

  • 1-(Acetyloxy)-1,2-dihydroobacunoic acid eta-lactone
  • AI3-37935
  • Nomilin
  • NSC 297134
  • UNII-DRM0753K4T

Systematic Name

  • Obacunoic acid, 1-(acetyloxy)-1,2-dihydro-, eta-lactone

Registry Numbers

CAS Registry Number

  • 1063-77-0

FDA UNII

  • DRM0753K4T

System Generated Number

  • 0001063770

Structure Descriptors

InChI

1S/C28H34O9/c1-14(29)34-19-12-20(31)36-24(2,3)17-11-18(30)27(6)16(26(17,19)5)7-9-25(4)21(15-8-10-33-13-15)35-23(32)22-28(25,27)37-22/h8,10,13,16-17,19,21-22H,7,9,11-12H2,1-6H3/t16-,17+,19+,21+,22-,25+,26-,27+,28-/m1/s1

InChIKey

KPDOJFFZKAUIOE-WNGDLQANSA-N

Smiles

O1[C@@]23[C@H]1C(O[C@H]([C@@]3(CC[C@@H]1[C@@]3([C@H](CC(=O)OC([C@@H]3CC([C@@]21C)=O)(C)C)OC(=O)C)C)C)c1cocc1)=O