(3β,16α)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid

CAS Registry Number®

200127-83-9

CAS Name

(3β,16α)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid

Molecular Formula

C52H84O22

Molecular Mass

1061.21

Cite this Page

(3β,16α)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxyolean-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=200127-83-9 (retrieved 2024-11-25) (CAS RN: 200127-83-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    200-202 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C52H84O22/c1-47(2)14-15-52(46(65)66)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(74-43-39(64)36(61)34(59)26(18-53)70-43)37(62)35(60)27(71-45)21-69-44-40(33(58)25(55)20-68-44)73-42-38(63)32(57)24(54)19-67-42/h8,23-45,53-64H,9-21H2,1-7H3,(H,65,66)/t23-,24-,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1

InChIKey

InChIKey=AZFFBGWLLZUTDW-RABNPTKTSA-N

SMILES

C(O)(=O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(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)[C@@H](CO[C@H]8[C@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O)CO9)[C@@H](O)[C@@H](O)CO8)O6)CC5)[H])[H])(CC(C)(C)CC2)[H]

Canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC8OCC(O)C(O)C8O)C(O)C(O)C6OC9OC(CO)C(O)C(O)C9O)C(C)(C)C5CCC4(C)C3(C)CC1O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxy-, (3β,16α)-
  • (3β,16α)-3-[(O-α-L-Arabinopyranosyl-(1→2)-O-α-L-arabinopyranosyl-(1→6)-O-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl)oxy]-16-hydroxyolean-12-en-28-oic acid
  • Pitheduloside K
  • 3-O-α-L-Arabinopyranosyl(1→2)-α-L-arabinopyranosyl(1→6)-[β-D-glucopyranosyl(1→2)]-β-D-glucopyranosylechinocystic acid

CAS INSIGHTSTM
Hourglass and a clock