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Substance Name: Aurantoside B
RN: 137895-71-7
InChIKey: YZIOORMSEXDTKB-MONMVOPGSA-N

Molecular Formula

  • C35-H44-Cl2-N2-O15

Molecular Weight

  • 803.6376
 
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Names and Synonyms

Results Name

  • Aurantoside B

Synonym

  • Aurantoside B

Systematic Name

  • 2-Pyrrolidineacetamide, 1-(O-5-deoxy-beta-D-arabinofuranosyl-(1-4)-O-beta-D-arabiniopyranosyl-(1-2)-beta-D-xylopyranosyl)-4-((2E,4E,6E,8E,10E,12E)-11,13-dichloro-1-hydroxy-2,4,6,8,10,12-tetradecanhexaenylidene)-3,5-dioxo,(2S,4E)

Registry Numbers

CAS Registry Number

  • 137895-71-7

System Generated Number

  • 0137895717

Structure Descriptors

InChI

1S/C35H44Cl2N2O15/c1-16(36)12-18(37)10-8-6-4-3-5-7-9-11-20(40)24-26(44)19(13-23(38)42)39(32(24)49)33-31(27(45)21(41)14-50-33)54-34-30(48)28(46)22(15-51-34)53-35-29(47)25(43)17(2)52-35/h3-12,17,19,21-22,25,27-31,33-35,40-41,43,45-48H,13-15H2,1-2H3,(H2,38,42)/b4-3+,7-5+,8-6+,11-9+,16-12+,18-10-,24-20-/t17-,19+,21-,22-,25-,27-,28+,29+,30+,31+,33?,34+,35+/m1/s1

InChIKey

YZIOORMSEXDTKB-MONMVOPGSA-N

Smiles

C[C@@H]1[C@H]([C@@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@H]([C@H]2O)O)O[C@H]3[C@@H]([C@@H](COC3N4[C@H](C(=O)/C(=C(\C=C\C=C\C=C\C=C\C=C(\C=C(/C)\Cl)/Cl)/O)/C4=O)CC(=O)N)O)O)O)O