Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-16-hydroxy-, O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β,16α)-

CAS Registry Number®

168324-02-5
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CAS Name

Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-16-hydroxy-, O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β,16α)-

Molecular Formula

C57H92O25

Molecular Mass

1177.33

Cite this Page

Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-16-hydroxy-, O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=168324-02-5 (retrieved 2024-09-20) (CAS RN: 168324-02-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-198 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C57H92O25/c1-23-43(79-47-42(71)44(28(61)22-74-47)80-46-39(68)34(63)26(59)20-73-46)38(67)41(70)48(76-23)81-45-35(64)27(60)21-75-50(45)82-51(72)57-16-15-52(2,3)17-25(57)24-9-10-31-54(6)13-12-33(78-49-40(69)37(66)36(65)29(19-58)77-49)53(4,5)30(54)11-14-55(31,7)56(24,8)18-32(57)62/h9,23,25-50,58-71H,10-22H2,1-8H3/t23-,25-,26+,27-,28+,29+,30-,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45+,46-,47-,48-,49-,50-,54-,55+,56+,57+/m0/s1

InChIKey

InChIKey=ZXFNMDBLCLWZIE-YZHLYORDSA-N

SMILES

C(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@H](O)CO3)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)(=O)[C@]56[C@](C=7[C@@](C)(C[C@H]5O)[C@@]8(C)[C@](CC7)([C@]9(C)[C@@](CC8)(C(C)(C)[C@@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)CC9)[H])[H])(CC(C)(C)CC6)[H]

Canonical SMILES

O=C(OC1OCC(O)C(O)C1OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C56CCC(C)(C)CC6C7=CCC8C9(C)CCC(OC%10OC(CO)C(O)C(O)C%10O)C(C)(C)C9CCC8(C)C7(C)CC5O

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-16-hydroxy-, O-β-D-xylopyranosyl-(1→3)-O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β,16α)-
  • Asterlingulatoside D