Platycodin A

CAS Registry Number®

66779-34-8
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CAS Name

Platycodin A

Molecular Formula

C59H94O29

Molecular Mass

1267.36

Cite this Page

Platycodin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=66779-34-8 (retrieved 2024-09-11) (CAS RN: 66779-34-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C59H94O29/c1-24-41(84-47-40(74)42(30(67)19-78-47)85-51-45(75)58(77,22-63)23-80-51)39(73)44(82-25(2)64)50(81-24)86-43-35(69)29(66)18-79-49(43)88-52(76)59-13-12-53(3,4)14-27(59)26-8-9-32-54(5)15-28(65)46(87-48-38(72)37(71)36(70)31(17-60)83-48)57(20-61,21-62)33(54)10-11-55(32,6)56(26,7)16-34(59)68/h8,24,27-51,60-63,65-75,77H,9-23H2,1-7H3/t24-,27-,28-,29-,30+,31+,32+,33+,34+,35-,36+,37-,38+,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,49-,50-,51-,54+,55+,56+,58+,59+/m0/s1

InChIKey

InChIKey=CNHZRRBWLMSLDX-WNHLAMKZSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](OC(C)=O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@](CO)(O)CO4)[C@H](O)CO3)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)(=O)[C@]56[C@](C=7[C@@](C)(C[C@H]5O)[C@@]8(C)[C@](CC7)([C@]9(C)[C@@](CC8)(C(CO)(CO)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)C9)[H])[H])(CC(C)(C)CC6)[H]

Canonical SMILES

O=C(OC1C(O)C(OC2OCC(O)C(OC3OCC(O)(CO)C3O)C2O)C(OC1OC4C(O)C(O)COC4OC(=O)C56CCC(C)(C)CC6C7=CCC8C9(C)CC(O)C(OC%10OC(CO)C(O)C(O)C%10O)C(CO)(CO)C9CCC8(C)C7(C)CC5O)C)C

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-2,16,23,24-tetrahydroxy-, O-D-apio-β-D-furanosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-2-O-acetyl-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (2β,3β,16α)-
  • Platycodin A
  • 2′′-O-Acetylplatycodin D

Deleted or Replaced CAS Registry Numbers

66686-54-2