Methyl 7-[(3-O-Acetyl-.beta.-D-mannopyranosyl)oxy]-1H-indole-2-carboxylate

SpectraBase Compound ID	21mXPR4FQ6K
InChI	InChI=1S/C18H21NO9/c1-8(21)26-16-14(22)12(7-20)28-18(15(16)23)27-11-5-3-4-9-6-10(17(24)25-2)19-13(9)11/h3-6,12,14-16,18-20,22-23H,7H2,1-2H3/t12-,14-,15+,16+,18-/m1/s1
InChIKey	MENLBOUGRBHIJN-BHOIQGAFSA-N Google Search
Mol Weight	395.36 g/mol
Molecular Formula	C18H21NO9
Exact Mass	395.121631 g/mol

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SpectraBase Spectrum ID	9DR2MkOZoLM
Name	Methyl 7-[(3-O-Acetyl-.beta.-D-mannopyranosyl)oxy]-1H-indole-2-carboxylate
Alternate Name(s)	Methyl 7-(((2S,3S,4S,5R,6R)-4-acetoxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1H-indole-2-carboxylate 7-[[(2S,3S,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1H-indole-2-carboxylic acid methyl ester Methyl 7-[(2S,3S,4S,5R,6R)-4-acetyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-indole-2-carboxylate Methyl 7-[(2S,3S,4S,5R,6R)-4-acetoxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1H-indole-2-carboxylate Methyl 7-[(2S,3S,4S,5R,6R)-4-acetyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-1H-indole-2-carboxylate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H21NO9
InChI	InChI=1S/C18H21NO9/c1-8(21)26-16-14(22)12(7-20)28-18(15(16)23)27-11-5-3-4-9-6-10(17(24)25-2)19-13(9)11/h3-6,12,14-16,18-20,22-23H,7H2,1-2H3/t12-,14-,15+,16+,18-/m1/s1
InChIKey	MENLBOUGRBHIJN-BHOIQGAFSA-N
Literature Reference DOI	10.1002/cbdv.201300381
Molecular Weight	395.364 g/mol
SMILES	O[C@]1([C@]([C@@]([C@](O[C@]1(Oc1cccc2c1[nH]c(c2)C(=O)OC)[H])(CO)[H])(O)[H])(OC(C)=O)[H])[H]
SPLASH	splash10-0a4i-2901000000-8d2dfe2a3c42e9de99c9
Source of Spectrum	CBD-11-973-2
Wiley ID	1771433