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Substance Name: Aurantoside J
RN: 1370291-37-4
InChIKey: VRZYXKVDNUBKHN-OXNRURMUSA-N

Note

  • From Theonella swinhoei.

Molecular Formula

  • C23-H27-Cl-N2-O8

Molecular Weight

  • 494.9253
 
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Names and Synonyms

Results Name

  • Aurantoside J

Synonym

  • Aurantoside J

Systematic Name

  • 2-Pyrrolidineacetamide, 4-((2E,4E,6E,8E,10Z)-11-chloro-1-hydroxy-2,4,6,8,10-dodecapentaenylidene)-3,5-dioxo-1-alpha-D-xylopyranosyl-, (2S,4Z)-

Registry Numbers

CAS Registry Number

  • 1370291-37-4

System Generated Number

  • 1370291374

Structure Descriptors

InChI

1S/C23H27ClN2O8/c1-13(24)9-7-5-3-2-4-6-8-10-15(27)18-19(30)14(11-17(25)29)26(22(18)33)23-21(32)20(31)16(28)12-34-23/h2-10,14,16,20-21,23,27-28,31-32H,11-12H2,1H3,(H2,25,29)/b3-2+,6-4+,7-5+,10-8+,13-9-,18-15-/t14-,16+,20-,21+,23-/m0/s1

InChIKey

VRZYXKVDNUBKHN-OXNRURMUSA-N

Smiles

C\C(=C\C=C\C=C\C=C\C=C\C(=C\1/C(=O)[C@H](CC(=O)N)N([C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C1=O)\O)\Cl