β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[[(2R)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranuronosyl-(1→2)-
CAS Registry Number®
CAS Name
β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[[(2R)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranuronosyl-(1→2)-Molecular Formula
C54H82O22Molecular Mass
1083.22Cite this Page
β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[[(2R)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranuronosyl-(1→2)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=244776-46-3 (retrieved ) (CAS RN: 244776-46-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C54H82O22/c1-22-32(57)26(56)18-31(69-22)71-30-20-49(3,4)19-25-24-10-11-28-51(6)14-13-29(52(7,21-55)27(51)12-15-54(28,9)53(24,8)17-16-50(25,30)5)72-47-42(37(62)35(60)40(73-47)44(65)66)76-48-43(38(63)36(61)41(74-48)45(67)68)75-46-39(64)34(59)33(58)23(2)70-46/h10,23,25,27-31,33-43,46-48,55,57-64H,11-21H2,1-9H3,(H,65,66)(H,67,68)/t23-,25-,27+,28+,29-,30+,31-,33-,34+,35-,36-,37-,38-,39+,40-,41-,42+,43+,46-,47+,48-,50+,51-,52+,53+,54+/m0/s1
InChIKey
InChIKey=MISLOXVLNGPFID-USTFHRRUSA-N
SMILES
C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)[C@H](O[C@H]5CC(=O)C(O)=C(C)O5)CC(C)(C)C4)[H])=CC[C@@]1([C@]6(C)[C@@](CC2)([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)[C@H](C)O9)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O8)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O7)CC6)[H])[H]
Canonical SMILES
O=C(O)C1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C5CC=C6C7CC(C)(C)CC(OC8OC(=C(O)C(=O)C8)C)C7(C)CCC6(C)C5(C)CCC4C3(C)CO)C(=O)O)C(OC9OC(C)C(O)C(O)C9O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (3β,4β,22β)-22-[[(2R)-3,4-dihydro-5-hydroxy-6-methyl-4-oxo-2H-pyran-2-yl]oxy]-23-hydroxyolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranuronosyl-(1→2)-
- Az III