(3β)-13,28-Epoxy-3-[(O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]oleanan-16-one

CAS Registry Number®

1335200-67-3

CAS Name

(3β)-13,28-Epoxy-3-[(O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]oleanan-16-one

Molecular Formula

C52H84O21

Molecular Mass

1045.21

Cite this Page

(3β)-13,28-Epoxy-3-[(O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]oleanan-16-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1335200-67-3 (retrieved 2024-11-22) (CAS RN: 1335200-67-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H84O21/c1-46(2)14-15-51-22-67-52(29(51)16-46)13-9-28-48(5)11-10-31(47(3,4)27(48)8-12-49(28,6)50(52,7)17-30(51)56)71-44-40(73-43-39(64)36(61)33(58)24(18-53)68-43)35(60)26(21-66-44)70-45-41(37(62)34(59)25(19-54)69-45)72-42-38(63)32(57)23(55)20-65-42/h23-29,31-45,53-55,57-64H,8-22H2,1-7H3/t23-,24-,25-,26+,27+,28-,29?,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,48+,49-,50+,51-,52+/m1/s1

InChIKey

InChIKey=LXYNMISGVPYMHU-YCLFJNSLSA-N

SMILES

C[C@]12[C@@]3(C4([C@@](CO3)(C(=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](O[C@H]9[C@H](O[C@H]%10[C@H](O)[C@@H](O)[C@H](O)CO%10)[C@@H](O)[C@H](O)[C@@H](CO)O9)CO7)C6(C)C)[H])[H]

Canonical SMILES

O=C1CC2(C)C3(OCC14CCC(C)(C)CC43)CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC9OCC(O)C(O)C9O)C(O)C7OC%10OC(CO)C(O)C(O)C%10O)C(C)(C)C6CCC52C

Other Names for this Substance

  • Oleanan-16-one, 13,28-epoxy-3-[(O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-, (3β)-
  • (3β)-13,28-Epoxy-3-[(O-β-D-xylopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]oleanan-16-one
  • Clethroidoside D

CAS INSIGHTSTM
Targeted protein degrader structure, illustration