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Substance Name: Pfaffoside B
RN: 78244-75-4
InChIKey: UTTMVFMTWNLRGZ-UHFFFAOYSA-N

Molecular Formula

  • C68-H110-O33

Molecular Weight

  • 1455.58
 
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Names and Synonyms

Results Name

  • Pfaffoside B

Synonyms

  • Pfafforside B
  • Stichloroside A

Systematic Name

  • Lanost-7-en-18-oic acid, 23-(acetyloxy)-20-hydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->4)-O-(O-3-O-methyl-beta-D-glucopyranosyl-(1->3)-O-beta-D-glucopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->2))-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta,9beta,23S)-

Registry Numbers

CAS Registry Number

  • 78244-75-4

System Generated Number

  • 0078244754

Structure Descriptors

InChI

1S/C68H110O33/c1-27(2)19-29(90-28(3)73)20-67(8)39-14-17-66(7)31-11-12-38-64(4,5)40(15-16-65(38,6)30(31)13-18-68(39,66)63(85)101-67)97-62-56(46(79)37(26-89-62)96-59-51(84)55(45(78)35(24-72)92-59)99-61-49(82)53(87-10)43(76)33(22-70)94-61)100-57-47(80)41(74)36(25-88-57)95-58-50(83)54(44(77)34(23-71)91-58)98-60-48(81)52(86-9)42(75)32(21-69)93-60/h11,27,29-30,32-62,69-72,74-84H,12-26H2,1-10H3

InChIKey

UTTMVFMTWNLRGZ-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1O[C@@H]1[C@@H]([C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]1CO[C@@H]([C@@H]([C@@H]1O)O)O[C@@H]1[C@@H](OC[C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O[C@@H]2[C@@H](O)[C@@H](OC)[C@@H](O)[C@@H](CO)O2)O)[C@@H]1O)O[C@@H]1CC[C@@]2([C@@H]3CC[C@@]45[C@@](C3=CC[C@@H]2C1(C)C)(C)CC[C@@H]4[C@@](OC5=O)(C)C[C@@H](CC(C)C)OC(C)=O)C)O)O)OC)O)CO