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Substance Name: Graecunin E
RN: 74350-30-4
InChIKey: QBFOXISCLSPTBT-UHFFFAOYSA-N

Molecular Formula

  • C51-H82-O22

Molecular Weight

  • 1047.19
 
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Names and Synonyms

Results Name

  • Graecunin E

Synonym

  • Graecunin E

Systematic Name

  • alpha-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-alpha-D-glucopyranosyl-(1-4)-O-alpha-D-glucopyranosyl-(1-2)-O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-

Registry Numbers

CAS Registry Number

  • 74350-30-4

System Generated Number

  • 0074350304

Structure Descriptors

InChI

1S/C51H82O22/c1-20-8-13-51(65-18-20)21(2)32-28(73-51)15-27-25-7-6-23-14-24(9-11-49(23,4)26(25)10-12-50(27,32)5)67-45-40(61)37(58)35(56)31(70-45)19-64-48-44(38(59)33(54)22(3)66-48)72-47-42(63)39(60)43(30(17-53)69-47)71-46-41(62)36(57)34(55)29(16-52)68-46/h6,20-22,24-48,52-63H,7-19H2,1-5H3

InChIKey

QBFOXISCLSPTBT-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1CO)O)O)O)O[C@@H]1[C@@H](O[C@@H]([C@@H]([C@@H]1O)O)O[C@@H]1[C@@H]([C@@H]([C@@H](O[C@@H]1OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O1)O[C@@H]1CC=2[C@@]([C@@H]3[C@@H](CC2)[C@@H]2[C@@]([C@@H]4[C@@H]([C@@]5(O[C@@H]4C2)OC[C@@H](CC5)C)C)(CC3)C)(C)CC1)C)O)O)CO