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Substance Name: Sapindoside B
RN: 30994-75-3
InChIKey: IAGSHEHQJJTLLR-FNINEVAMSA-N

Note

  • Isolated from Locinera fulvotomentosa.

Molecular Formula

  • C46-H74-O16

Molecular Weight

  • 883.075
 
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Names and Synonyms

Name of Substance

  • Sapindoside B

Systematic Name

  • Olean-12-en-28-oic acid, 23-hydroxy-3-((O-beta-D-xylopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl)oxy)-, (3beta,4alpha)-

Registry Numbers

CAS Registry Number

  • 30994-75-3

System Generated Number

  • 0030994753

Structure Descriptors

InChI

1S/C46H74O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22-,24-,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1

InChIKey

IAGSHEHQJJTLLR-FNINEVAMSA-N

Smiles

C1[C@H]([C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@@H](O)[C@@H](O[C@H](C)[C@@H]2O)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@@H]2[C@@]([C@@H]3CC[C@@]4(C)[C@]5(C)CC[C@@]6(CCC(C[C@@H]6C5=CC[C@H]4[C@@]3(CC2)C)(C)C)C(O)=O)(C)CO)O)O)O1)O