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Methanesulfonic acid 2-((2R,5R,6S,7R,8R,10S)-10-hydroxymethyl-7,8-bis-methoxymethoxy-6-methyl-spiro[4.5]dec-2-yl)-propyl ester
SpectraBase Compound ID JN3HiKe1Ei2
InChI InChI=1S/C20H38O8S/c1-14(11-28-29(5,22)23)16-6-7-20(9-16)15(2)19(27-13-25-4)18(26-12-24-3)8-17(20)10-21/h14-19,21H,6-13H2,1-5H3/t14?,15-,16-,17-,18-,19-,20+/m1/s1
InChIKey NLFLQBOMGKVBGT-SQKQVQGNSA-N
Mol Weight 438.6 g/mol
Molecular Formula C20H38O8S
Exact Mass 438.228739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwxZmEx0Fi3
Name Methanesulfonic acid 2-((2R,5R,6S,7R,8R,10S)-10-hydroxymethyl-7,8-bis-methoxymethoxy-6-methyl-spiro[4.5]dec-2-yl)-propyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H38O8S
InChI InChI=1S/C20H38O8S/c1-14(11-28-29(5,22)23)16-6-7-20(9-16)15(2)19(27-13-25-4)18(26-12-24-3)8-17(20)10-21/h14-19,21H,6-13H2,1-5H3/t14?,15-,16-,17-,18-,19-,20+/m1/s1
InChIKey NLFLQBOMGKVBGT-SQKQVQGNSA-N
Molecular Weight 438.576 g/mol
SMILES OC[C@@]1([C@]2([C@@]([C@@](OCOC)([C@@](C1)(OCOC)[H])[H])(C)[H])C[C@](C(COS(=O)(=O)C)C)(CC2)[H])[H]
SPLASH splash10-0a4i-0900000000-c96ab88a996161871868
Source of Spectrum E1-38-364-17
Synonyms (2R)-2-[(2R,5R,6S,7R,8R,10S)-10-(hydroxymethyl)-7,8-bis(methoxymethoxy)-6-methylspiro[4.5]dec-2-yl]propyl methanesulfonate (2RS,5SR,6SR,7RS,8RS,10SR)-1-(Hydroxymethyl)-2-(2-mesyloxy-1-methylethyl)-8,9-bis(methoxymethoxy)-6-methylspiro[4.5]decane methanesulfonic acid 2-[(3R,5R,6S,7R,8R,10S)-10-(hydroxymethyl)-7,8-bis(methoxymethoxy)-6-methyl-3-spiro[4.5]decanyl]propyl ester 2-[(3R,5R,6S,7R,8R,10S)-10-(hydroxymethyl)-7,8-bis(methoxymethoxy)-6-methylspiro[4.5]decan-3-yl]propyl methanesulfonate 2-[(3R,5R,6S,7R,8R,10S)-10-(hydroxymethyl)-7,8-bis(methoxymethoxy)-6-methyl-spiro[4.5]decan-3-yl]propyl methanesulfonate
Wiley ID 1518243