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Spirolaxine - methyl ether
SpectraBase Compound ID 2TpanXMcqb4
InChI InChI=1S/C24H34O6/c1-16-11-13-24(29-16)12-7-9-17(30-24)8-5-4-6-10-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h14-17,20H,4-13H2,1-3H3/t16-,17-,20-,24-/m1/s1
InChIKey JCVYMDCKTLUBAJ-RYFDGZFISA-N
Mol Weight 418.5 g/mol
Molecular Formula C24H34O6
Exact Mass 418.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mKoTXHRIkP
Name Spirolaxine - methyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O6
InChI InChI=1S/C24H34O6/c1-16-11-13-24(29-16)12-7-9-17(30-24)8-5-4-6-10-20-19-14-18(26-2)15-21(27-3)22(19)23(25)28-20/h14-17,20H,4-13H2,1-3H3/t16-,17-,20-,24-/m1/s1
InChIKey JCVYMDCKTLUBAJ-RYFDGZFISA-N
Molecular Weight 418.530 g/mol
SMILES c12C(O[C@@](c2cc(cc1OC)OC)(CCCCC[C@]1(O[C@]2(O[C@](C)(CC2)[H])CCC1)[H])[H])=O
SPLASH splash10-0a4m-9432000000-6150ffa92e37c096f584
Source of Spectrum F5-5-2581-2b
Synonyms (3R,2''R,5''R,7''R)-5,7-Dimethoxy-3-[5'-(2''-methyl-1'',6''-dioxaspiro[4.5]dec-7''-yl)pent-1'-yl]-3H-isobenzofuran-1-one (R)-5,7-dimethoxy-3-(5-((2R,5R,7R)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl)pentyl)isobenzofuran-1(3H)-one (3R)-5,7-dimethoxy-3-[5-[(2R,5R,7R)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]pentyl]-3H-isobenzofuran-1-one (3R)-5,7-dimethoxy-3-[5-[(2R,5R,7R)-2-methyl-1,6-dioxaspiro[4.5]decan-7-yl]pentyl]-3H-2-benzofuran-1-one
Wiley ID 1733258