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Spiro[4.5]dec-7-ene-1-butanoic acid, 9-hydroxy-8-(methoxycarbonyl)-.gamma.,4-dimethyl-, 1-methylethyl ester, [1R-[1.alpha.(R*),4.beta.,5.beta.(S*)]]-
SpectraBase Compound ID 3Sz4dmXujj8
InChI InChI=1S/C21H34O5/c1-13(2)26-19(23)9-6-14(3)17-8-7-15(4)21(17)11-10-16(18(22)12-21)20(24)25-5/h10,13-15,17-18,22H,6-9,11-12H2,1-5H3/t14?,15-,17+,18+,21-/m0/s1
InChIKey VFYGEJHOLHGJIZ-WCHMEINUSA-N
Mol Weight 366.5 g/mol
Molecular Formula C21H34O5
Exact Mass 366.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbuzbqOy9lB
Name Spiro[4.5]dec-7-ene-1-butanoic acid, 9-hydroxy-8-(methoxycarbonyl)-.gamma.,4-dimethyl-, 1-methylethyl ester, [1R-[1.alpha.(R*),4.beta.,5.beta.(S*)]]-
CAS Registry Number 90363-74-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O5
InChI InChI=1S/C21H34O5/c1-13(2)26-19(23)9-6-14(3)17-8-7-15(4)21(17)11-10-16(18(22)12-21)20(24)25-5/h10,13-15,17-18,22H,6-9,11-12H2,1-5H3/t14?,15-,17+,18+,21-/m0/s1
InChIKey VFYGEJHOLHGJIZ-WCHMEINUSA-N
Molecular Weight 366.498 g/mol
SMILES O[C@@]1(C[C@@]2([C@](CC[C@@]2(C)[H])(C(CCC(=O)OC(C)C)C)[H])CC=C1C(=O)OC)[H]
SPLASH splash10-0aba-0922000000-1aa32a0ef6f0c8d5639e
Source of Spectrum B-37-642-0
Synonyms Isopropyl,methyl diester of acorane isoprenologue diacid Methyl (1R,4S,5S,9R)-9-hydroxy-1-(4-isopropoxy-1-methyl-4-oxobutyl)-4-methylspiro[4.5]dec-7-ene-8-carboxylate
Wiley ID 1352076