Primulasaponin

CAS Registry Number®

65312-86-9
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CAS Name

Primulasaponin

Molecular Formula

C54H88O23

Molecular Mass

1105.26

Cite this Page

Primulasaponin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65312-86-9 (retrieved 2024-05-02) (CAS RN: 65312-86-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C54H88O23/c1-22-30(58)33(61)36(64)44(70-22)76-41-35(63)32(60)24(20-56)72-46(41)74-39-38(66)40(43(67)68)75-47(42(39)77-45-37(65)34(62)31(59)23(19-55)71-45)73-29-11-12-50(6)25(49(29,4)5)9-13-51(7)26(50)10-14-54-27-17-48(2,3)15-16-53(27,21-69-54)28(57)18-52(51,54)8/h22-42,44-47,55-66H,9-21H2,1-8H3,(H,67,68)/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41+,42+,44-,45-,46-,47+,50-,51+,52-,53+,54-/m0/s1

InChIKey

InChIKey=DQUUSJCGJNQFPG-CBMAJASRSA-N

SMILES

C[C@]12[C@@]3([C@]4([C@@](CO3)([C@H](O)C1)CCC(C)(C)C4)[H])CC[C@]5([C@@]2(C)CC[C@@]6([C@]5(C)CC[C@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[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](CO)O9)[C@H](O)[C@@H](C(O)=O)O7)C6(C)C)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CCC56OCC7(CCC(C)(C)CC57)C(O)CC64C)C2(C)C)C(OC8OC(CO)C(O)C(O)C8O)C(OC9OC(CO)C(O)C(O)C9OC%10OC(C)C(O)C(O)C%10O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,16α)-13,28-epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-
  • (3β,16α)-13,28-Epoxy-16-hydroxyoleanan-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-galactopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosiduronic acid
  • Saponin PS 4 from Primulaelatior
  • Primulasaponin
  • Primulasaponin 1

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Deleted or Replaced CAS Registry Numbers

104074-64-8

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