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Substance Name: Arbortristoside A
RN: 97145-52-3
InChIKey: OQNPBHSDFWPQEK-IIJMSXQASA-N

Molecular Formula

  • C27-H34-O13

Molecular Weight

  • 566.553
 
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Names and Synonyms

Results Name

  • Arbortristoside A

Synonym

  • Arbortristoside A

Systematic Name

  • Cyclopenta(c)pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-5-((3-(4-methoxyphenyl)-1-oxo-2-propenyl)oxy)-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha(E),6alpha,7alpha,7aalpha))-

Registry Numbers

CAS Registry Number

  • 97145-52-3

System Generated Number

  • 0097145523

Structure Descriptors

InChI

1S/C27H34O13/c1-12-18-19(24(20(12)30)39-17(29)9-6-13-4-7-14(35-2)8-5-13)15(25(34)36-3)11-37-26(18)40-27-23(33)22(32)21(31)16(10-28)38-27/h4-9,11-12,16,18-24,26-28,30-33H,10H2,1-3H3/b9-6+/t12?,16-,18?,19-,20?,21-,22+,23-,24?,26+,27+/m1/s1

InChIKey

OQNPBHSDFWPQEK-IIJMSXQASA-N

Smiles

C=1([C@@H]2[C@@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@@H]([C@@H]([C@@H]2OC(\C=C\c1ccc(cc1)OC)=O)O)C)C(=O)OC