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Substance Name: Nemorososide
RN: 85802-36-4
InChIKey: PQAFJMDEBILOPV-CBHMWAQLSA-N

Molecular Formula

  • C25-H38-O11

Molecular Weight

  • 514.564
 
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Names and Synonyms

Results Name

  • Nemorososide

Synonym

  • Nemorososide

Systematic Name

  • beta-D-Glucopyranoside, (1S,4aR,5R,7S,7aS)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-(((2E,6E)-8-hydroxy-2,6-dimethyl-1-oxo-2,6-octadienyl)oxy)-7-methylcyclopenta(c)pyran-1-yl

Registry Numbers

CAS Registry Number

  • 85802-36-4

System Generated Number

  • 0085802364

Structure Descriptors

InChI

1S/C25H38O11/c1-13(7-9-26)5-4-6-14(2)22(31)34-16-11-25(3,32)18-15(16)8-10-33-23(18)36-24-21(30)20(29)19(28)17(12-27)35-24/h6-8,10,15-21,23-24,26-30,32H,4-5,9,11-12H2,1-3H3/b13-7+,14-6+/t15-,16+,17+,18+,19+,20-,21+,23-,24-,25-/m0/s1

InChIKey

PQAFJMDEBILOPV-CBHMWAQLSA-N

Smiles

O1[C@H]([C@@H]2[C@](C[C@H]([C@@H]2C=C1)OC(\C(=C\CC\C(=C\CO)C)C)=O)(O)C)O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O