β-D-Glucopyranosyl (3β,4α)-3-[(O-α-L-arabinopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate

CAS Registry Number®

107241-23-6

CAS Name

β-D-Glucopyranosyl (3β,4α)-3-[(O-α-L-arabinopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate

Molecular Formula

C52H84O22

Molecular Mass

1061.21

Cite this Page

β-D-Glucopyranosyl (3β,4α)-3-[(O-α-L-arabinopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=107241-23-6 (retrieved 2024-12-23) (CAS RN: 107241-23-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C52H84O22/c1-47(2)13-15-52(46(66)74-43-39(65)36(62)34(60)27(18-53)69-43)16-14-50(5)23(24(52)17-47)7-8-30-48(3)11-10-31(49(4,22-55)29(48)9-12-51(30,50)6)71-44-40(33(59)26(57)21-68-44)73-45-41(37(63)35(61)28(19-54)70-45)72-42-38(64)32(58)25(56)20-67-42/h7,24-45,53-65H,8-22H2,1-6H3/t24-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,48-,49-,50+,51+,52-/m0/s1

InChIKey

InChIKey=OKEVWDLMMSVZPI-YBUCFGIWSA-N

SMILES

C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@@](CO)(C)[C@@H](O[C@H]7[C@H](O[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)[C@@H](CO)O8)[C@@H](O)[C@@H](O)CO7)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OCC(O)C(O)C7OC8OC(CO)C(O)C(O)C8OC9OCC(O)C(O)C9O)C(C)(CO)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-[(O-α-L-arabinopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxy-, β-D-glucopyranosyl ester, (3β,4α)-
  • β-D-Glucopyranosyl (3β,4α)-3-[(O-α-L-arabinopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oate
  • Medicoside I

CAS INSIGHTSTM
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