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Substance Name: Bivittoside C
RN: 77394-05-9
InChIKey: ZLMXZWLZWSFOKX-UHFFFAOYSA-N

Molecular Formula

  • C67-H110-O31

Molecular Weight

  • 1411.57
 
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Names and Synonyms

Results Name

  • Bivittoside C

Synonym

  • Bivittoside C

Systematic Name

  • Lanost-9(11)-en-18-oic acid, 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)-6-deoxy-beta-D-glucopyranosyl-(1-2))-beta-D-xylopyranosyl)oxy)-, gamma-lactone, (3beta)-

Registry Numbers

CAS Registry Number

  • 77394-05-9

System Generated Number

  • 0077394059

Structure Descriptors

InChI

1S/C67H110O31/c1-27(2)12-11-18-66(8)37-16-20-65(7)30-13-14-36-63(4,5)38(17-19-64(36,6)29(30)15-21-67(37,65)62(83)98-66)93-61-55(43(76)35(26-86-61)92-57-48(81)53(41(74)33(24-70)88-57)95-58-46(79)51(84-9)39(72)31(22-68)89-58)97-56-45(78)44(77)50(28(3)87-56)94-60-49(82)54(42(75)34(25-71)91-60)96-59-47(80)52(85-10)40(73)32(23-69)90-59/h15,27-28,30-61,68-82H,11-14,16-26H2,1-10H3

InChIKey

ZLMXZWLZWSFOKX-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H](O)[C@@H]1CO)OC)O)O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@@H]1O)CO)O[C@@H]1[C@@H]([C@@H]([C@@H](O[C@@H]2[C@@H](O[C@@H]3C(C)(C)[C@@H]4[C@@](CC3)(C=3[C@@H](CC4)[C@@]4([C@@]5(C(O[C@@]([C@@H]5CC4)(C)CCCC(C)C)=O)CC3)C)C)OC[C@@H](O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@@H]3O)O[C@@H]3[C@@H](O)[C@@H](OC)[C@@H]([C@@H](O3)CO)O)O)CO)[C@@H]2O)O[C@@H]1C)O)O