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Substance Name: Inerminoside A1
RN: 155656-95-4
InChIKey: AMVJBPWDFCUNOH-UHFFFAOYSA-N

Note

  • Isolated from Clerodendrum inerme.

Molecular Weight

  • 508.47
 
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Names and Synonyms

Name of Substance

  • Inerminoside A1

Synonym

  • 2'-O-(beta-D-Apiofuranosyl)mussaenosidic acid

Systematic Name

  • Cyclopenta(c)pyran-4-carboxylic acid, 1-((2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, (1S-(1alpha,4aalpha,7alpha,7aalpha))-

Registry Numbers

CAS Registry Number

  • 155656-95-4

System Generated Number

  • 0155656954

Structure Descriptors

InChI

1S/C21H32O14/c1-20(29)3-2-8-9(16(27)28)5-31-17(11(8)20)35-18-14(13(25)12(24)10(4-22)33-18)34-19-15(26)21(30,6-23)7-32-19/h5,8,10-15,17-19,22-26,29-30H,2-4,6-7H2,1H3,(H,27,28)

InChIKey

AMVJBPWDFCUNOH-UHFFFAOYSA-N

Smiles

O1C=C(C(O)=O)[C@@H]2CC[C@@]([C@@H]2[C@@H]1O[C@@H]1[C@@H](O[C@@H]2[C@@H]([C@@](CO2)(CO)O)O)[C@@H](O)[C@@H](O)[C@@H](CO)O1)(C)O