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Substance Name: Forbeside A
RN: 88434-20-2
InChIKey: VAGYKCDDTUMBQN-JFVQTHJWSA-M

Note

  • From the patagonian starfish anasterias minuta (Phylum Echinodermata, class Asteroidea).

Molecular Formula

  • C62-H102-O33-S.Na

Molecular Weight

  • 1429.5029
 
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Names and Synonyms

Results Name

  • Forbeside A

Synonyms

  • Forbeside A
  • Versicoside A

Systematic Name

  • Cholest-9(11)-en-23-one, 6-((O-6-deoxy-beta-D-glucopyranosyl-(1-2)-O-(O-beta-D-galactopyranosyl-(1-3)-O-6-deoxy-beta-D-galactopyranosyl-(1-2)-beta-D-galactopyranosyl-(1-4))-O-beta-D-xylopyranosyl-(1-3)-6-deoxy-beta-D-glucopyranosyl)oxy)-20-hydroxy-3-(sulfooxy)-, monosodium salt, (3beta,5alpha,6alpha,20xi)-

Registry Numbers

CAS Registry Number

  • 88434-20-2

System Generated Number

  • 0088434202

Molecular Formulas

Molecular Formula

  • C62-H102-O33-S.Na

Molecular Formula Fragments

  • C62-H102-O33-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C62H102O33S.Na/c1-22(2)15-26(65)18-62(8,79)36-10-9-29-28-17-32(31-16-27(95-96(80,81)82)11-13-60(31,6)30(28)12-14-61(29,36)7)87-56-48(77)51(39(68)24(4)85-56)92-58-52(93-54-46(75)43(72)37(66)23(3)84-54)42(71)35(21-83-58)90-59-53(45(74)41(70)34(20-64)89-59)94-57-49(78)50(38(67)25(5)86-57)91-55-47(76)44(73)40(69)33(19-63)88-55;/h12,22-25,27-29,31-59,63-64,66-79H,9-11,13-21H2,1-8H3,(H,80,81,82);/q;+1/p-1/t23-,24-,25-,27+,28+,29+,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-,61+,62?;/m1./s1

InChIKey

VAGYKCDDTUMBQN-JFVQTHJWSA-M

Smiles

C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@H]3[C@@H]([C@H](O[C@@H]([C@@H]3O)O[C@H]4C[C@H]5[C@@H]6CC[C@@H]([C@]6(CC=C5[C@@]7([C@@H]4C[C@H](CC7)OS(=O)(=O)[O-])C)C)C(C)(CC(=O)CC(C)C)O)C)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)C)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)O)O.[Na+]