For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Spiro[4.5]dec-7-ene-8-carboxylic acid, 9-hydroxy-1-(4-hydroxy-1,5-dimethylhexyl)-4-methyl-, methyl ester, [1R-[1.alpha.(1R*,4R*),4.beta.,5.beta.(S*)]]-
SpectraBase Compound ID 4Zh5r4DGAry
InChI InChI=1S/C21H36O4/c1-13(2)18(22)9-6-14(3)17-8-7-15(4)21(17)11-10-16(19(23)12-21)20(24)25-5/h10,13-15,17-19,22-23H,6-9,11-12H2,1-5H3/t14-,15+,17-,18-,19+,21+/m1/s1
InChIKey XPCAEPWERCDOLA-QKMRFKTESA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Kx6TC152ZbE
Name Spiro[4.5]dec-7-ene-8-carboxylic acid, 9-hydroxy-1-(4-hydroxy-1,5-dimethylhexyl)-4-methyl-, methyl ester, [1R-[1.alpha.(1R*,4R*),4.beta.,5.beta.(S*)]]-
CAS Registry Number 90363-72-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-13(2)18(22)9-6-14(3)17-8-7-15(4)21(17)11-10-16(19(23)12-21)20(24)25-5/h10,13-15,17-19,22-23H,6-9,11-12H2,1-5H3/t14-,15+,17-,18-,19+,21+/m1/s1
InChIKey XPCAEPWERCDOLA-QKMRFKTESA-N
Molecular Weight 352.515 g/mol
SMILES O[C@]1(C[C@@]2([C@@]([C@@](CC[C@](C(C)C)(O)[H])(C)[H])(CC[C@@]2(C)[H])[H])CC=C1C(=O)OC)[H]
SPLASH splash10-0aor-3921000000-d2268fc2cb80d5a61ec2
Source of Spectrum B-37-642-0
Synonyms Methyl (1R,4S,5S,9S)-9-hydroxy-1-[(1R,4R)-4-hydroxy-1,5-dimethylhexyl]-4-methylspiro[4.5]dec-7-ene-8-carboxylate Methyl (1R,4S,5S,9S,1'R,4'R)-9-hydroxy-1-(4'-hydroxy-1',5'dimethylhexyl)-4-methylspiro[4.5]dec-7-ene-8-carboxylate
Wiley ID 1343511