Morroniside

C17H26O11CAS 25406-64-8406.38 g/mol

Open in Covalent MOL file
OOOOOOHOHOHOHOHO
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

7-O-Ethyl-morroniside945721-10-879 % similar Loganin18524-94-274 % similar Verbenalin548-37-864 % similar Geniposide24512-63-863 % similar Sylvestroside I71431-22-659 % similar Secoxyloganin58822-47-258 % similar Genipin gentiobioside29307-60-657 % similar Feretoside27530-67-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Shanzhiside methyl ester64421-28-9 8-O-Acetylharpagide6926-14-3

Elsewhere

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