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Substance Name: Bivittoside D
RN: 77394-06-0
InChIKey: VABYQAVVFYSJBX-JXSGXXDWSA-N

Molecular Formula

  • C67-H110-O32

Molecular Weight

  • 1429.5462
 
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Names and Synonyms

Name of Substance

  • Bivittoside D

Synonyms

  • Bivittoside D
  • Bohadschioside A

Systematic Name

  • Lanost-9(11)-en-18-oic acid, 12,20-dihydroxy-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,12alpha)-

Registry Numbers

CAS Registry Number

  • 77394-06-0

System Generated Number

  • 0077394060

Structure Descriptors

InChI

1S/C66H108O33/c1-25(2)11-10-16-65(7)34-14-18-64(6)26-12-13-33-62(3,4)36(15-17-63(33,5)27(26)19-35(71)66(34,64)61(84)99-65)93-60-53(41(76)32(24-87-60)92-56-46(81)50(39(74)30(22-69)88-56)94-57-44(79)48(85-8)37(72)28(20-67)89-57)97-55-43(78)42(77)52(54(83)98-55)96-59-47(82)51(40(75)31(23-70)91-59)95-58-45(80)49(86-9)38(73)29(21-68)90-58/h19,25-26,28-60,67-83H,10-18,20-24H2,1-9H3/t26-,28-,29-,30-,31-,32+,33+,34-,35?,36+,37-,38-,39-,40-,41+,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53-,54+,55?,56?,57?,58?,59?,60?,63-,64+,65+,66+/m1/s1

InChIKey

VABYQAVVFYSJBX-JXSGXXDWSA-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)[C@@H](C3)O)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](O)[C@@H](O3)CO)O)CO)[C@@H]2O)O[C@@H]1C)O)O