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Substance Name: Sulfapatrinoside II
RN: 120204-05-9
InChIKey: LRGXNUICVHNYPU-UHFFFAOYSA-N

Note

  • From seeds of Patrinia scabiosaefolia.

Molecular Weight

  • 880.991
 
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Names and Synonyms

Name of Substance

  • Sulfapatrinoside II

Synonym

  • 3beta-Hydroxyolean-12-en-28-oic acid 28-O-(beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl)-23-sulfate ester

Systematic Name

  • Olean-12-en-28-oic acid, 3-hydroxy-23-(sulfooxy)-, 6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ester, monosodium salt, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 120204-05-9

System Generated Number

  • 0120204059

Structure Descriptors

InChI

1S/C43H68O17.Na.H/c1-37(2)13-15-42(36(52)60-35-33(51)31(49)29(47)24(59-35)19-56-34-32(50)30(48)28(46)23(18-44)58-34)16-14-40(5)21(22(42)17-37)7-8-26-38(3)11-10-27(45)39(4,20-57-43(53,54)55)25(38)9-12-41(26,40)6;;/h7,22-35,44-51H,8-20H2,1-6H3,(H,53,54,55);;

InChIKey

LRGXNUICVHNYPU-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO)OC[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)OC([C@@]12CC[C@@]3(C(=CC[C@@H]4[C@@]5(CC[C@@H]([C@@]([C@@H]5CC[C@@]34C)(C)COC(O)(=O)=O)O)C)[C@@H]1CC(CC2)(C)C)C)=O.[Na]