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Substance Name: Sulfapatrinoside I
RN: 120190-30-9
InChIKey: FSQSUNVVJAAKEW-UHFFFAOYSA-N

Note

  • From seeds of Patrinia scabiosaefolia.

Molecular Weight

  • 880.991
 
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Names and Synonyms

Name of Substance

  • Sulfapatrinoside I

Synonym

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

Systematic Name

  • Urs-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

  • 120190-30-9

System Generated Number

  • 0120190309

Structure Descriptors

InChI

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

InChIKey

FSQSUNVVJAAKEW-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]1[C@@H]([C@@H](CC2)C)C)C)=O.[Na]