Secologanin dimethyl acetal

methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

Also Known As: Secologanin dimethyl acetal|secologanin dimethylacetal|Tei-4120|NP3810|TN4981|FS-9260|methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate|2H-Pyran-5-carboxylic acid, 4-(2,2-dimethoxyethyl)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester, (2S,3R,4S)-|Secologanoside-7- methyl ester, (-)-Secologanin dimethyl acetal|(2S)-3alpha-Ethenyl-2beta-(beta-D-glucopyranosyloxy)-3,4-dihydro-4alpha-(2,2-dimethoxyethyl)-2H-pyran-5-carboxylic acid methyl ester|(4S)-4beta-(2,2-Dimethoxyethyl)-5beta-vinyl-6alpha-(beta-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester|2H-Pyran-5-carboxylicacid, 4-(2,2-dimethoxyethyl)-3-ethenyl-2-(b-D-glucopyranosyloxy)-3,4-dihydro-, methyl ester,(2S,3R,4S)-|Methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate|methyl (2S,3R,4S)-4-(2,2-dimethoxyethyl)-3-ethenyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate|METHYL (4S,5R,6S)-4-(2,2-DIMETHOXYETHYL)-5-ETHENYL-6-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-5,6-DIHYDRO-4H-PYRAN-3-CARBOXYLATE

Molecular Formula	C19H30O11
Molecular Weight	434.1788 g/mol
LogP	-0.8
Topological Polar Surface Area	153.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	10
Exact Mass	434.1788
Monoisotopic Mass	434.1788
Heavy Atoms	30
Complexity	605.0

Chemical Identifiers

CAS Number	77988-07-9
SMILES	COC(C[C@H]1[C@H]([C@@H](OC=C1C(=O)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C=C)OC
InChIKey	HUVIXLWRQSMCLN-PXRCHJMLSA-N