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Substance Name: Uttronin A
RN: 39941-51-0
InChIKey: BJNQXJIQCPPOHN-NUKVSUKUSA-N

Note

  • A specific inhibitor of phosphatidylinositol-3-kinase from Solanum americum.

Molecular Formula

  • C50-H82-O22

Molecular Weight

  • 1035.18
 
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Names and Synonyms

Name of Substance

  • Uttronin A

Synonyms

  • (3beta,5alpha,25R)-Spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-beta-D-galactopyranoside
  • 3-O-(beta-Lycotetraosyl)-(25R)-5alpha-spirostan-3beta-ol

Systematic Name

  • beta-D-Galactopyranoside, (3beta,5alpha,25R)-spirostan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-

Registry Numbers

CAS Registry Number

  • 39941-51-0

System Generated Number

  • 0039941510

Structure Descriptors

InChI

1S/C50H82O22/c1-20-7-12-50(64-18-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(62)37(59)41(31(17-53)68-45)69-47-43(71-46-39(61)36(58)34(56)29(15-51)66-46)42(35(57)30(16-52)67-47)70-44-38(60)33(55)27(54)19-63-44/h20-47,51-62H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,47+,48+,49+,50-/m1/s1

InChIKey

BJNQXJIQCPPOHN-NUKVSUKUSA-N

Smiles

O1[C@]2([C@@H](C)[C@@H]3[C@@]4(CC[C@@H]5[C@@]6([C@H](C[C@H](CC6)O[C@@H]6O[C@H](CO)[C@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@H](O8)CO)[C@@H](O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)[C@H](O)[C@H](CO)O7)[C@@H](O)[C@H]6O)CC[C@@H]5[C@@H]4C[C@H]3O2)C)C)CC[C@H](C1)C