chempirical

Morroniside

C17H26O11CAS 25406-64-8406.38 g/mol

Open in Covalent MOL file
OOOOOHOOHOHOHOHO
AcetalAlcoholAlkeneEsterEther

Properties

Molecular formula
C17H26O11
Molar mass
406.38 g/mol
Exact mass
406.1475 Da
logP
-2.42Crippen estimate
Polar surface area
164.4 Ų
H-bond donors / acceptors
5 / 11
Rotatable bonds
4
Stereocentres
S, S, R, S, S, R, S, S, R, Sin SMILES atom order

Identifiers

CAS number
25406-64-8
SMILES
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](O)C[C@H]12
InChIKey
YTZSBJLNMIQROD-SFBCHFHNSA-N
InChI
InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-3-hydroxy-1-methyl-, methyl ester, (1S,3R,4aS,8S,8aS)-
  • 1H,3H-Pyrano[3,4-c]pyran-5-carboxylic acid, 8-(β-D-glucopyranosyloxy)-4,4a,8,8a-tetrahydro-3-hydroxy-1-methyl-, methyl ester, [1S-(1α,3β,4aβ,8β,8aβ)]-
  • Morronisid
  • β-Morroniside
  • (7β-OH)-Morroniside
  • 7β-Morroniside

Work with Morroniside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Loganin18524-94-274 % similar Verbenalin548-37-864 % similar Geniposide24512-63-863 % similar Secoxyloganin58822-47-258 % similar Genipin gentiobioside29307-60-657 % similar Feretoside27530-67-257 % similar Loganic acid22255-40-955 % similar Gardenoside24512-62-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

8-O-Acetylharpagide6926-14-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook