Pulsatilloside E

CAS Registry Number®

366814-43-9
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CAS Name

Pulsatilloside E

Molecular Formula

C65H106O31

Molecular Mass

1383.52

Cite this Page

Pulsatilloside E.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=366814-43-9 (retrieved 2024-06-26) (CAS RN: 366814-43-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    216-218 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C65H106O31/c1-24(2)27-11-16-65(60(84)96-58-50(82)45(77)40(72)31(91-58)21-85-54-51(83)46(78)52(30(20-67)90-54)94-55-47(79)42(74)37(69)25(3)87-55)18-17-63(7)28(36(27)65)9-10-34-61(5)14-13-35(62(6,23-68)33(61)12-15-64(34,63)8)93-59-53(95-56-48(80)43(75)38(70)26(4)88-56)41(73)32(22-86-59)92-57-49(81)44(76)39(71)29(19-66)89-57/h25-59,66-83H,1,9-23H2,2-8H3/t25-,26-,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+,52+,53+,54+,55-,56-,57-,58-,59-,61-,62-,63+,64+,65-/m0/s1

InChIKey

InChIKey=WKNXZHOQPHRDKT-RUGHYGOFSA-N

SMILES

C(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]45[C@@]([C@@]6([C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)([C@@](CO)(C)[C@@H](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O%10)[C@@H](O)[C@@H](O[C@@H]%11O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%11O)CO9)CC8)[H])[H])[H])([C@H](C(C)=C)CC5)[H]

Canonical SMILES

O=C(OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C45CCC(C(=C)C)C5C6CCC7C8(C)CCC(OC9OCC(OC%10OC(CO)C(O)C(O)C%10O)C(O)C9OC%11OC(C)C(O)C(O)C%11O)C(C)(CO)C8CCC7(C)C6(C)CC4

Other Names for this Substance

  • Lup-20(29)-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-23-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl ester, (3β,4α)-
  • Pulsatilloside E
  • 3-O-[β-D-glucopyranosyl(1→4)][α-L-rhamnopyranosyl(1→2)]-α-L-arabinopyranosyl-23-hydroxybetulinic acid 28-O-α-L-rhamnopyranosyl(1→4)-β-D-glucopyranosyl(1→6)-β-D-glucopyranosyl ester
  • Chinensioside B

Deleted or Replaced CAS Registry Numbers

439590-39-3

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