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Substance Name: Deltonin
RN: 55659-75-1
InChIKey: OLAMGHNQGZIWHZ-LEXQIOBWSA-N

Molecular Formula

  • C45-H72-O17

Molecular Weight

  • 885.047
 
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Names and Synonyms

Name of Substance

  • Deltonin

Synonym

  • Deltonin

Systematic Names

  • (3beta,25R)-Spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranoside
  • beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-

Registry Numbers

CAS Registry Number

  • 55659-75-1

System Generated Number

  • 0055659751

Structure Descriptors

InChI

1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23?,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

InChIKey

OLAMGHNQGZIWHZ-LEXQIOBWSA-N

Smiles

O1[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](CC[C@@]5([C@H]4CC[C@@]3([C@H]2[C@@H]([C@@]21OC[C@@H](CC2)C)C)C)C)O[C@H]1[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]([C@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)O