D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-[4-(D-glucopyranosyloxy)phenyl]-1-oxopropyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl
CAS Registry Number®
CAS Name
D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-[4-(D-glucopyranosyloxy)phenyl]-1-oxopropyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-ylMolecular Formula
C62H92O26Molecular Mass
1253.38Cite this Page
D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-[4-(D-glucopyranosyloxy)phenyl]-1-oxopropyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=134361-75-4 (retrieved ) (CAS RN: 134361-75-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C62H92O26/c1-57(2)20-21-62(30(22-57)29-13-14-35-59(5)18-17-37(84-54-47(76)43(72)44(73)49(87-54)51(77)78)58(3,4)34(59)16-19-60(35,6)61(29,7)23-36(62)66)56(79)88-55-50(48(31(65)26-80-55)86-53-46(75)42(71)40(69)33(25-64)83-53)85-38(67)15-10-27-8-11-28(12-9-27)81-52-45(74)41(70)39(68)32(24-63)82-52/h8-9,11-13,30-37,39-50,52-55,63-66,68-76H,10,14-26H2,1-7H3,(H,77,78)
InChIKey
InChIKey=QWZSYOUUCSCLRQ-UHFFFAOYSA-N
SMILES
C(OC1C(OC(CCC2=CC=C(OC3OC(CO)C(O)C(O)C3O)C=C2)=O)C(OC4OC(CO)C(O)C(O)C4O)C(O)CO1)(=O)C56C(C=7C(C)(CC5O)C8(C)C(CC7)C9(C)C(CC8)C(C)(C)C(OC%10OC(C(O)=O)C(O)C(O)C%10O)CC9)CC(C)(C)CC6
Canonical SMILES
O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC(=O)CCC9=CC=C(OC%10OC(CO)C(O)C(O)C%10O)C=C9)C(O)CC54C)C2(C)C)C(O)C(O)C1O
Other Names for this Substance
- D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-[4-(D-glucopyranosyloxy)phenyl]-1-oxopropyl]-D-xylopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl
- Oleanane, D-glucopyranosiduronic acid deriv.
