4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid

ID: Reference7392

Other Names: Butanedioic acid, mono[5-(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methylpentyl] ester

Formula: C24H40O5

Spectral Data

4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 5035
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/13/2018 9:15:09 AM
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Identificators

InChI InChI=1S/C24H40O5/c1-16(13-15-29-22(28)11-10-21(26)27)6-8-18-17(2)7-9-19-23(3,4)20(25)12-14-24(18,19)5/h16,18-20,25H,2,6-15H2,1,3-5H3,(H,26,27)
InChI Key PEFFBGFCZXFQSX-UHFFFAOYSA-N
Canonical SMILES CC(CCC1C(=C)CCC2C1(CCC(C2(C)C)O)C)CCOC(=O)CCC(=O)O
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Other Names Butanedioic acid, mono[5-(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)-3-methylpentyl] ester

In Other Databases

PubChem 60208906
ChemSpider 29814813