D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropyl]arabinopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl
CAS Registry Number®
134361-70-9
CAS Name
D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropyl]arabinopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-ylMolecular Formula
C57H84O22Molecular Mass
1121.26Cite this Page
D-Glucopyranosiduronic acid, (3β,16α)-28-[[3-O-D-glucopyranosyl-2-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxopropyl]arabinopyranosyl]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=134361-70-9 (retrieved ) (CAS RN: 134361-70-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C57H84O22/c1-52(2)19-20-57(51(71)79-50-46(76-37(62)14-10-26-9-12-29(59)31(21-26)72-8)44(30(60)25-73-50)77-48-42(67)39(64)38(63)32(24-58)74-48)28(22-52)27-11-13-34-54(5)17-16-36(75-49-43(68)40(65)41(66)45(78-49)47(69)70)53(3,4)33(54)15-18-55(34,6)56(27,7)23-35(57)61/h9,11-12,21,28,30,32-36,38-46,48-50,58-61,63-68H,10,13-20,22-25H2,1-8H3,(H,69,70)
InChIKey
InChIKey=KGBRFKGPHZOVCQ-UHFFFAOYSA-N
SMILES
C(OC1C(OC(CCC2=CC(OC)=C(O)C=C2)=O)C(OC3OC(CO)C(O)C(O)C3O)C(O)CO1)(=O)C45C(C=6C(C)(CC4O)C7(C)C(CC6)C8(C)C(CC7)C(C)(C)C(OC9OC(C(O)=O)C(O)C(O)C9O)CC8)CC(C)(C)CC5
Canonical SMILES
O=C(O)C1OC(OC2CCC3(C)C4CC=C5C6CC(C)(C)CCC6(C(=O)OC7OCC(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC(=O)CCC9=CC=C(O)C(OC)=C9)C(O)CC5(C)C4(C)CCC3C2(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-hydroxy-3-methoxyphenyl)-1-oxopropyl]arabinopyranosyl]oxy]-16-hydroxy-28-oxoolean-12-en-3-yl
- Oleanane, D-glucopyranosiduronic acid deriv.
- Tragopogonsaponin J
