Platycodin D3

CAS Registry Number®

67884-03-1

CAS Name

Platycodin D3

Molecular Formula

C63H102O33

Molecular Mass

1387.46

Cite this Page

Platycodin D3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67884-03-1 (retrieved 2024-11-25) (CAS RN: 67884-03-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C63H102O33/c1-24-45(92-51-44(81)46(29(70)18-85-51)93-55-48(82)62(84,22-67)23-88-55)40(77)43(80)52(89-24)94-47-35(72)28(69)17-86-54(47)96-56(83)63-12-11-57(2,3)13-26(63)25-7-8-32-58(4)14-27(68)49(61(20-65,21-66)33(58)9-10-59(32,5)60(25,6)15-34(63)71)95-53-42(79)39(76)37(74)31(91-53)19-87-50-41(78)38(75)36(73)30(16-64)90-50/h7,24,26-55,64-82,84H,8-23H2,1-6H3

InChIKey

InChIKey=XHKCYIRZWRRXNG-UHFFFAOYSA-N

SMILES

C(OC1C(OC2C(O)C(O)C(OC3C(O)C(OC4C(O)C(CO)(O)CO4)C(O)CO3)C(C)O2)C(O)C(O)CO1)(=O)C56C(C=7C(C)(CC5O)C8(C)C(CC7)C9(C)C(CC8)C(CO)(CO)C(OC%10OC(COC%11OC(CO)C(O)C(O)C%11O)C(O)C(O)C%10O)C(O)C9)CC(C)(C)CC6

Canonical SMILES

O=C(OC1OCC(O)C(O)C1OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)(CO)C4O)C3O)C(O)C2O)C56CCC(C)(C)CC6C7=CCC8C9(C)CC(O)C(OC%10OC(COC%11OC(CO)C(O)C(O)C%11O)C(O)C(O)C%10O)C(CO)(CO)C9CCC8(C)C7(C)CC5O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-2,16,23,24-tetrahydroxy-, O-D-apio-β-D-furanosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (2β,3β,16α)-
  • Platycodin D3

CAS INSIGHTSTM
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