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Substance Name: Scoparianoside A
RN: 195971-46-1
InChIKey: FOCJYVVPFHSVGZ-NETVJPFDSA-N

Note

  • Isolated from the fruit of Japanese Kochia scoparia.

Molecular Formula

  • C41-H64-O14

Molecular Weight

  • 780.943
 
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Names and Synonyms

Results Name

  • Scoparianoside A

Synonym

  • Scoparianoside A

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta,22alpha-17-carboxy-22-hydroxy-28-norolean-12-en-3-yl 3-O-beta-D-xylopyranosyl-

Registry Numbers

CAS Registry Number

  • 195971-46-1

System Generated Number

  • 0195971461

Structure Descriptors

InChI

1S/C41H64O14/c1-36(2)16-20-19-8-9-23-38(5)12-11-25(37(3,4)22(38)10-13-40(23,7)39(19,6)14-15-41(20,35(50)51)24(43)17-36)53-34-29(47)30(28(46)31(55-34)32(48)49)54-33-27(45)26(44)21(42)18-52-33/h8,20-31,33-34,42-47H,9-18H2,1-7H3,(H,48,49)(H,50,51)/t20-,21+,22-,23+,24-,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1

InChIKey

FOCJYVVPFHSVGZ-NETVJPFDSA-N

Smiles

O([C@H]1[C@H](O)[C@H]([C@H](O)CO1)O)[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1O)O[C@@H]1C([C@@H]2CC[C@@]3([C@]4(C)CC[C@@]5([C@H](CC(C[C@@H]5C4=CC[C@H]3[C@@]2(CC1)C)(C)C)O)C(=O)O)C)(C)C)C(O)=O)O