Ardipusilloside I

CAS Registry Number®

153127-34-5

CAS Name

Ardipusilloside I

Molecular Formula

C53H86O22

Molecular Mass

1075.24

Cite this Page

Ardipusilloside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=153127-34-5 (retrieved 2024-11-24) (CAS RN: 153127-34-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C53H86O22/c1-23-32(59)35(62)38(65)43(69-23)74-41-37(64)34(61)26(19-55)71-46(41)73-40-24(57)20-67-45(42(40)75-44-39(66)36(63)33(60)25(18-54)70-44)72-31-10-11-49(5)27(47(31,2)3)8-12-50(6)28(49)9-13-53-29-16-48(4,21-56)14-15-52(29,22-68-53)30(58)17-51(50,53)7/h21,23-46,54-55,57-66H,8-20,22H2,1-7H3/t23-,24-,25+,26+,27-,28+,29?,30+,31-,32-,33+,34+,35+,36-,37-,38+,39+,40-,41+,42+,43-,44-,45-,46-,48-,49-,50+,51-,52+,53-/m0/s1

InChIKey

InChIKey=IGQYGXWTPSHLDX-FJIZLYDDSA-N

SMILES

C[C@]12[C@@]3(C4([C@@](CO3)([C@H](O)C1)CC[C@@](C=O)(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)CO7)C6(C)C)[H])[H]

Canonical SMILES

O=CC1(C)CCC23COC4(CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8OC9OC(C)C(O)C(O)C9O)C7OC%10OC(CO)C(O)C(O)C%10O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1

Other Names for this Substance

  • Oleanan-29-al, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-13,28-epoxy-16-hydroxy-, (3β,16α,20β)-
  • 2H,5H-14a,4a-(Epoxymethano)picene, oleanan-29-al deriv.
  • (3β,16α,20β)-3-[(O-6-Deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-13,28-epoxy-16-hydroxyoleanan-29-al
  • Ardipusilloside I
  • Ardipusilloside

CAS INSIGHTSTM
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