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Substance Name: Deoxylimonol
RN: 83991-64-4
InChIKey: VNNZUOXOSGRYOD-PAAQMEKRSA-N

Note

  • Lipophilic substance found in human feces.

Molecular Weight

  • 456.532
 
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Names and Synonyms

Name of Substance

  • Deoxylimonol

Synonym

  • Deoxy-alpha-limonol

Systematic Name

  • Limonoic acid, 14,15-deepoxy-14,15-didehydro-7-deoxo-7-hydroxy-, 3,19:16,17-dilactone, (7alpha)-

Registry Numbers

CAS Registry Number

  • 83991-64-4

System Generated Number

  • 0083991644

Structure Descriptors

InChI

1S/C26H32O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,18-19,22,27H,5,7,9,11,13H2,1-4H3/t15-,16-,18+,19-,22-,24+,25+,26?/m0/s1

InChIKey

VNNZUOXOSGRYOD-PAAQMEKRSA-N

Smiles

C1C(OC[C@@]23[C@H]1OC([C@@H]3C[C@H]([C@@]1(C3=CC(O[C@H]([C@@]3(CC[C@H]21)C)c1cocc1)=O)C)O)(C)C)=O