3-[[6-O-[(3R)-4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl]-β-D-glucopyranosyl]oxy]-2-methyl-4H-pyran-4-one
CAS Registry Number®
325144-72-7
CAS Name
3-[[6-O-[(3R)-4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl]-β-D-glucopyranosyl]oxy]-2-methyl-4H-pyran-4-oneMolecular Formula
C18H24O12Molecular Mass
432.38Cite this Page
3-[[6-O-[(3R)-4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl]-β-D-glucopyranosyl]oxy]-2-methyl-4H-pyran-4-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=325144-72-7 (retrieved ) (CAS RN: 325144-72-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18-/m1/s1
InChIKey
InChIKey=WCVUIHQUPRXYKT-XUGHYYTGSA-N
SMILES
O([C@@H]1O[C@H](COC(C[C@](CC(O)=O)(C)O)=O)[C@@H](O)[C@H](O)[C@H]1O)C=2C(=O)C=COC2C
Canonical SMILES
O=C(O)CC(O)(C)CC(=O)OCC1OC(OC=2C(=O)C=COC2C)C(O)C(O)C1O
Other Names for this Substance
- 4H-Pyran-4-one, 3-[[6-O-[(3R)-4-carboxy-3-hydroxy-3-methyl-1-oxobutyl]-β-D-glucopyranosyl]oxy]-2-methyl-
- 3-[[6-O-[(3R)-4-Carboxy-3-hydroxy-3-methyl-1-oxobutyl]-β-D-glucopyranosyl]oxy]-2-methyl-4H-pyran-4-one
- Tachiogroside B
- Licoagroside B