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(1R,4R,5R,7R,9R,10S,13R,14S)-7-hydroxy-9,14-dimethyl-15-oxotetracyclo[11.2.1.0(1,10).0(4,9)]hexadecane-5-carboxylic acid
SpectraBase Compound ID 6rLCInQz0VN
InChI InChI=1S/C19H28O4/c1-10-11-3-4-15-18(2)9-12(20)7-13(17(22)23)14(18)5-6-19(15,8-11)16(10)21/h10-15,20H,3-9H2,1-2H3,(H,22,23)/t10-,11+,12+,13+,14+,15-,18+,19+/m0/s1
InChIKey NUZXZCUJQXSBRI-IQGWMBLNSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31o4bM2kn9i
Name (1R,4R,5R,7R,9R,10S,13R,14S)-7-hydroxy-9,14-dimethyl-15-oxotetracyclo[11.2.1.0(1,10).0(4,9)]hexadecane-5-carboxylic acid
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Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-10-11-3-4-15-18(2)9-12(20)7-13(17(22)23)14(18)5-6-19(15,8-11)16(10)21/h10-15,20H,3-9H2,1-2H3,(H,22,23)/t10-,11+,12+,13+,14+,15-,18+,19+/m0/s1
InChIKey NUZXZCUJQXSBRI-IQGWMBLNSA-N
Instrument Name JEOL JMS-01-SG-2
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290060506
Molecular Weight 320.429 g/mol
SMILES OC([C@]1([C@@]2([C@@](C[C@@](C1)(O)[H])([C@]1([C@@]3(CC2)C[C@@](CC1)([C@@](C3=O)(C)[H])[H])[H])C)[H])[H])=O
SPLASH splash10-0ir0-2498000000-2837ce8637dd16486d4e
Source of Spectrum RCM-6-342-6
Wiley ID 1835559