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Substance Name: EINECS 278-857-7
RN: 78180-90-2
InChIKey: IKRNIUUCBHMQNH-XPJMFISCSA-N

Molecular Formula

  • C20-H35-N-O13

Molecular Weight

  • 497.4905
 
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Names and Synonyms

Results Name

  • EINECS 278-857-7

Synonym

  • EINECS 278-857-7

Systematic Name

  • (1S-(1alpha,4alpha5beta,6alpha))-1,5,6-Trideoxy-3-O-beta-D-glucopyranosyl-5-(hydroxymethyl)-1-((4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl)amino)-D-chiro-inositol

Registry Numbers

CAS Registry Number

  • 78180-90-2

System Generated Number

  • 0078180902

Structure Descriptors

InChI

1S/C20H35NO13/c22-3-6-1-8(13(27)16(30)11(6)25)21-9-2-7(4-23)12(26)19(14(9)28)34-20-18(32)17(31)15(29)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12-,13+,14+,15-,16+,17+,18-,19+,20+/m1/s1

InChIKey

IKRNIUUCBHMQNH-XPJMFISCSA-N

Smiles

OC[C@H]1C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]1O