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Substance Name: Aurantoside H
RN: 845553-23-3
InChIKey: LIMKXWLGCNDCHO-NXGYWYAYSA-N

Note

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

Molecular Formula

  • C28-H35-Cl-N2-O12

Molecular Weight

  • 627.0395
 
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Names and Synonyms

Results Name

  • Aurantoside H

Synonym

  • Aurantoside H

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 845553-23-3

System Generated Number

  • 0845553233

Structure Descriptors

InChI

1S/C28H35ClN2O12/c1-14(29)9-7-5-3-2-4-6-8-10-16(32)20-21(36)15(11-19(30)35)31(26(20)40)27-25(23(38)18(34)12-41-27)43-28-24(39)22(37)17(33)13-42-28/h2-10,15,17-18,22-25,27-28,32-34,37-39H,11-13H2,1H3,(H2,30,35)/b3-2+,6-4+,7-5+,10-8+,14-9-,20-16-/t15-,17+,18+,22+,23-,24-,25+,27+,28-/m0/s1

InChIKey

LIMKXWLGCNDCHO-NXGYWYAYSA-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[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)C1=O)\O)\Cl