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Substance Name: Nuezhenide
RN: 39011-92-2
InChIKey: STKUCSFEBXPTAY-YTECAPLWSA-N

Note

  • From Ligustrum lucidum.

Molecular Formula

  • C31-H42-O17

Molecular Weight

  • 686.656
 
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Names and Synonyms

Name of Substance

  • Nuezhenide

Synonyms

  • 2-(4-Hydroxyphenyl)ethyl-6-(3-ethylidene-2-(beta-D-glucopyranosyloxyl)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate)-beta-D-glucopyranoside
  • Nuezhenide
  • Specnuezhenide

Systematic Name

  • beta-D-Glucopyranoside, 2-(4-hydroxyphenyl)ethyl, 6-(3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate), trans-

Registry Numbers

CAS Registry Number

  • 39011-92-2

System Generated Number

  • 0039011922

Structure Descriptors

InChI

1S/C31H42O17/c1-3-16-17(18(28(41)42-2)12-45-29(16)48-31-27(40)24(37)22(35)19(11-32)46-31)10-21(34)44-13-20-23(36)25(38)26(39)30(47-20)43-9-8-14-4-6-15(33)7-5-14/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3+/t17?,19-,20-,22-,23-,24+,25+,26-,27-,29+,30-,31+/m1/s1

InChIKey

STKUCSFEBXPTAY-YTECAPLWSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(C[C@@H]1C(\[C@@H](OC=C1C(=O)OC)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)=C\C)=O)CCc1ccc(cc1)O