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Substance Name: Scoparianoside B
RN: 195971-47-2
InChIKey: HWYBGIDROCYPOE-WEAQAMGWSA-N

Note

  • Isolated from the fruit of Japanese Kochia scoparia.

Molecular Formula

  • C41-H64-O13

Molecular Weight

  • 764.944
 
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Names and Synonyms

Results Name

  • Scoparianoside B

Synonym

  • Scoparianoside B

Systematic Name

  • beta-D-Glucopyranosiduronic acid, (3beta)-17-carboxy-28-norolean-18-en-3-yl 3-O-betaD-xylopyranosyl-

Registry Numbers

CAS Registry Number

  • 195971-47-2

System Generated Number

  • 0195971472

Structure Descriptors

InChI

1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1

InChIKey

HWYBGIDROCYPOE-WEAQAMGWSA-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(CCC(C[C@@H]5C4=CC[C@H]3[C@@]2(CC1)C)(C)C)C(=O)O)C)(C)C)C(O)=O)O