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Substance Name: Aurantoside I
RN: 845553-24-4
InChIKey: ITJHGHYWTXMLCW-TUAGNYLDSA-N

Note

  • Tetramic acid glycoside from a Papua New Guinea Theonella swinhoei.

Molecular Formula

  • C34-H45-Cl-N2-O15

Molecular Weight

  • 757.1815
 
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Names and Synonyms

Results Name

  • Aurantoside I

Synonym

  • Aurantoside I

Systematic Name

  • 2-Pyrrolidineacetamide, 4-((2E,4E,6E,8E,10Z)-11-chloro-1-hydroxy-2,4,6,8,10-dodecapentaenylidene)-1-(O-5-deoxy-2-O-methyl-beta-D-arabinofuranosyl-(1-4)-O-beta-D-arabinopyranosyl-(1-3)-beta-D-xylopyranosyl)-3,5-dioxo-, (2S,4Z)-

Registry Numbers

CAS Registry Number

  • 845553-24-4

System Generated Number

  • 0845553244

Structure Descriptors

InChI

1S/C34H45ClN2O15/c1-16(35)11-9-7-5-4-6-8-10-12-19(38)23-25(42)18(13-22(36)40)37(31(23)46)32-29(26(43)20(39)14-48-32)52-33-28(45)27(44)21(15-49-33)51-34-30(47-3)24(41)17(2)50-34/h4-12,17-18,20-21,24,26-30,32-34,38-39,41,43-45H,13-15H2,1-3H3,(H2,36,40)/b5-4+,8-6+,9-7+,12-10+,16-11-,23-19-/t17-,18+,20-,21-,24-,26+,27-,28+,29-,30+,32-,33+,34-/m1/s1

InChIKey

ITJHGHYWTXMLCW-TUAGNYLDSA-N

Smiles

CO[C@H]1[C@H](O)[C@@H](C)O[C@@H]1O[C@@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)CO[C@H]3N4[C@@H](CC(=O)N)C(=O)\C(=C(\O)/C=C/C=C/C=C/C=C/C=C(/C)\Cl)\C4=O)[C@@H](O)[C@@H]2O