28-(O-β-D-Xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) (2β,3β,4α)-2,3-dihydroxyolean-12-ene-23,28-dioate
CAS Registry Number®
CAS Name
28-(O-β-D-Xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) (2β,3β,4α)-2,3-dihydroxyolean-12-ene-23,28-dioateMolecular Formula
C46H72O18Molecular Mass
913.05Cite this Page
28-(O-β-D-Xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) (2β,3β,4α)-2,3-dihydroxyolean-12-ene-23,28-dioate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=129570-95-2 (retrieved ) (CAS RN: 129570-95-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C46H72O18/c1-20-33(62-36-31(53)28(50)24(48)18-59-36)30(52)32(54)37(61-20)63-34-29(51)25(49)19-60-38(34)64-40(58)46-14-12-41(2,3)16-22(46)21-8-9-26-42(4)17-23(47)35(55)45(7,39(56)57)27(42)10-11-44(26,6)43(21,5)13-15-46/h8,20,22-38,47-55H,9-19H2,1-7H3,(H,56,57)/t20-,22-,23-,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,42+,43+,44+,45-,46-/m0/s1
InChIKey
InChIKey=NVYDZIYMAONXJL-GXHJOEOUSA-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](O)CO3)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)(=O)[C@]45[C@](C=6[C@@](C)(CC4)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)([C@@](C(O)=O)(C)[C@@H](O)[C@@H](O)C8)[H])[H])(CC(C)(C)CC5)[H]
Canonical SMILES
O=C(O)C1(C)C(O)C(O)CC2(C)C1CCC3(C)C2CC=C4C5CC(C)(C)CCC5(C(=O)OC6OCC(O)C(O)C6OC7OC(C)C(OC8OCC(O)C(O)C8O)C(O)C7O)CCC43C
Other Names for this Substance
- Olean-12-ene-23,28-dioic acid, 2,3-dihydroxy-, 28-(O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) ester, (2β,3β,4α)-
- 28-(O-β-D-Xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl) (2β,3β,4α)-2,3-dihydroxyolean-12-ene-23,28-dioate
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