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2-Pentenoic acid, 3-methyl-5-(octahydro-3',7'-dihydroxy-5',5',8'a-trimethylspiro[1,3-dioxolane-2,2'(1'H)-naphthalen]-1'-yl)-, methyl ester, [1'S-[1'.alpha.(E),3'.beta.,4'a.beta.,7'.beta.,8'a.alpha.]]-
SpectraBase Compound ID 5r01qPerMId
InChI InChI=1S/C22H36O6/c1-14(10-19(25)26-5)6-7-16-21(4)13-15(23)12-20(2,3)17(21)11-18(24)22(16)27-8-9-28-22/h10,15-18,23-24H,6-9,11-13H2,1-5H3/b14-10+/t15-,16+,17-,18+,21+/m1/s1
InChIKey SKYGUQCLGKVWTE-IVTQOVFESA-N
Mol Weight 396.5 g/mol
Molecular Formula C22H36O6
Exact Mass 396.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9t1fJ0mW3Lz
Name 2-Pentenoic acid, 3-methyl-5-(octahydro-3',7'-dihydroxy-5',5',8'a-trimethylspiro[1,3-dioxolane-2,2'(1'H)-naphthalen]-1'-yl)-, methyl ester, [1'S-[1'.alpha.(E),3'.beta.,4'a.beta.,7'.beta.,8'a.alpha.]]-
CAS Registry Number 126569-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O6
InChI InChI=1S/C22H36O6/c1-14(10-19(25)26-5)6-7-16-21(4)13-15(23)12-20(2,3)17(21)11-18(24)22(16)27-8-9-28-22/h10,15-18,23-24H,6-9,11-13H2,1-5H3/b14-10+/t15-,16+,17-,18+,21+/m1/s1
InChIKey SKYGUQCLGKVWTE-IVTQOVFESA-N
Molecular Weight 396.524 g/mol
SMILES O[C@]1(C[C@@]2([C@](C[C@@](C3([C@]2(CC\C(=C\C(=O)OC)C)[H])OCCO3)(O)[H])(C(C1)(C)C)[H])C)[H]
SPLASH splash10-0002-9463000000-257ac0c433989724fe71
Source of Spectrum B-42-576-36
Synonyms Spiro[1,3-dioxolane-2,2'(1'H)-naphthalene], 2-pentenoic acid deriv. 1-(4'-Methoxycarbonyl-3'-methylbut-3'-enyl)-2,2-methylenedioxy-5,5,8a-trimethyl-3,7-dihydroxy-perhydronaphthalene Methyl (2E)-5-[(1'S,3'S,4'aR,7'R,8'aR)-3',7'-dihydroxy-5',5',8'a-trimethyl-octahydro-1'H-spiro[1,3-dioxolane-2,2'-naphthalene]-1'-yl]-3-methylpent-2-enoate
Wiley ID 1367487