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

*Links on SpectraBase are not permalinks.
Spiro[4.5]decane-8-carboxylic acid, 1-(1,5-dimethylhexyl)-7-hydroxy-4-(hydroxymethyl)-, methyl ester, [1R-[1.alpha.(R*),4.beta.,5.beta.(7S*,8S*)]]-
SpectraBase Compound ID 5uAFo6CBAW
InChI InChI=1S/C21H38O4/c1-14(2)6-5-7-15(3)18-9-8-16(13-22)21(18)11-10-17(19(23)12-21)20(24)25-4/h14-19,22-23H,5-13H2,1-4H3/t15?,16-,17+,18-,19+,21-/m1/s1
InChIKey MRCAWNXQHOZRQS-QYGSBPLESA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 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 BPmLHjqJMCA
Name Spiro[4.5]decane-8-carboxylic acid, 1-(1,5-dimethylhexyl)-7-hydroxy-4-(hydroxymethyl)-, methyl ester, [1R-[1.alpha.(R*),4.beta.,5.beta.(7S*,8S*)]]-
CAS Registry Number 110623-81-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-14(2)6-5-7-15(3)18-9-8-16(13-22)21(18)11-10-17(19(23)12-21)20(24)25-4/h14-19,22-23H,5-13H2,1-4H3/t15?,16-,17+,18-,19+,21-/m1/s1
InChIKey MRCAWNXQHOZRQS-QYGSBPLESA-N
Molecular Weight 354.531 g/mol
SMILES O[C@]1(C[C@@]2([C@@](CO)(CC[C@@]2(C(CCCC(C)C)C)[H])[H])CC[C@@]1(C(=O)OC)[H])[H]
SPLASH splash10-0a4i-0922000000-fcc91355b3726a77dbac
Source of Spectrum B-39-2118-16
Synonyms 4-Methoxycarbonyl-5-hydroxy-7-hydroxymethyl-11-(1,5-dimethyl-hexyl)-spiro[4.5]decane Methyl (1R,4S,5S,7S,8S)-1-(1,5-dimethylhexyl)-7-hydroxy-4-(hydroxymethyl)spiro[4.5]decane-8-carboxylate
Wiley ID 1344809