(3β)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid

CAS Registry Number®

156980-30-2

CAS Name

(3β)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid

Molecular Formula

C46H74O16

Molecular Mass

883.07

Cite this Page

(3β)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)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=156980-30-2 (retrieved 2025-05-21) (CAS RN: 156980-30-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C46H74O16/c1-41(2)14-16-46(40(55)56)17-15-44(6)22(23(46)18-41)8-9-28-43(5)12-11-29(42(3,4)27(43)10-13-45(28,44)7)60-39-36(62-37-33(53)30(50)24(48)20-57-37)35(25(49)21-58-39)61-38-34(54)32(52)31(51)26(19-47)59-38/h8,23-39,47-54H,9-21H2,1-7H3,(H,55,56)/t23-,24+,25-,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36+,37-,38-,39-,43-,44+,45+,46-/m0/s1

InChIKey

InChIKey=QISCHUABGXFSHX-VGYFPVPDSA-N

SMILES

C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CCC(C)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)CC[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)CO7)[C@@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)CO6)C5(C)C)[H])[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC8OCC(O)C(O)C8O)C(C)(C)C5CCC4(C)C3(C)CC1

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]-, (3β)-
  • (3β)-3-[(O-β-D-Glucopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-α-L-arabinopyranosyl)oxy]olean-12-en-28-oic acid
  • Elatoside E
  • Tarasaponin III

CAS INSIGHTSTM
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