(3β)-3-[(2-O-β-D-Glucopyranosyl-β-D-xylopyranosyl)oxy]olean-12-en-28-oic acid

CAS Registry Number®

117585-05-4

CAS Name

(3β)-3-[(2-O-β-D-Glucopyranosyl-β-D-xylopyranosyl)oxy]olean-12-en-28-oic acid

Molecular Formula

C41H66O12

Molecular Mass

750.96

Cite this Page

(3β)-3-[(2-O-β-D-Glucopyranosyl-β-D-xylopyranosyl)oxy]olean-12-en-28-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=117585-05-4 (retrieved 2024-11-22) (CAS RN: 117585-05-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C41H66O12/c1-36(2)14-16-41(35(48)49)17-15-39(6)21(22(41)18-36)8-9-26-38(5)12-11-27(37(3,4)25(38)10-13-40(26,39)7)52-34-32(28(44)23(43)20-50-34)53-33-31(47)30(46)29(45)24(19-42)51-33/h8,22-34,42-47H,9-20H2,1-7H3,(H,48,49)/t22-,23+,24+,25-,26+,27-,28-,29+,30-,31+,32+,33-,34-,38-,39+,40+,41-/m0/s1

InChIKey

InChIKey=GXWUEMSASMVWKO-FRAHBDCESA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]6[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)CO6)CC5)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-xylopyranosyl)oxy]-, (3β)-
  • (3β)-3-[(2-O-β-D-Glucopyranosyl-β-D-xylopyranosyl)oxy]olean-12-en-28-oic acid
  • Flaccidin B
  • Flaccidoside I
  • 3β-Hydroxyolean-12-en-28-oic acid 3-O-β-D-glucopyranosyl-(1→2)-β-D-xylopyranoside

CAS INSIGHTSTM
Targeted protein degrader structure, illustration