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2-Naphthalenecarboxylic acid, 8-(1-formylethenyl)-3,4,4a,5,6,7,8,8a-octahydro-4-hydroxy-5-methyl-7-oxo-, (4.alpha.,4a.beta.,5.beta.,8.be ta.,8a.alpha.)-(-)-

View entire compound with spectra: 1 MS (GC)

2-Naphthalenecarboxylic acid, 8-(1-formylethenyl)-3,4,4a,5,6,7,8,8a-octahydro-4-hydroxy-5-methyl-7-oxo-, (4.alpha.,4a.beta.,5.beta.,8.be ta.,8a.alpha.)-(-)-
SpectraBase Compound ID 4IHABegvpPX
InChI InChI=1S/C15H18O5/c1-7-3-11(17)14(8(2)6-16)10-4-9(15(19)20)5-12(18)13(7)10/h4,6-7,10,12-14,18H,2-3,5H2,1H3,(H,19,20)/t7-,10-,12-,13+,14-/m1/s1
InChIKey HOMBCMTVOCZMMX-WUTMKBSZSA-N
Mol Weight 278.3 g/mol
Molecular Formula C15H18O5
Exact Mass 278.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2hPyEMxPou
Name 2-Naphthalenecarboxylic acid, 8-(1-formylethenyl)-3,4,4a,5,6,7,8,8a-octahydro-4-hydroxy-5-methyl-7-oxo-, (4.alpha.,4a.beta.,5.beta.,8.be ta.,8a.alpha.)-(-)-
CAS Registry Number 115374-28-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O5
InChI InChI=1S/C15H18O5/c1-7-3-11(17)14(8(2)6-16)10-4-9(15(19)20)5-12(18)13(7)10/h4,6-7,10,12-14,18H,2-3,5H2,1H3,(H,19,20)/t7-,10-,12-,13+,14-/m1/s1
InChIKey HOMBCMTVOCZMMX-WUTMKBSZSA-N
Molecular Weight 278.304 g/mol
SMILES OC(C1=C[C@@]2([C@@]([C@@](C1)(O)[H])([C@@](CC([C@@]2(C(=C)C=O)[H])=O)(C)[H])[H])[H])=O
SPLASH splash10-02tc-1190000000-0518f960bccc9c025838
Source of Spectrum F-44-1600-1
Synonyms (3E,4Z,7Z)-3.beta.-hydroxy-2(hydroxycarbonyl)-4.alpha.-methyl-7.alpha.-(3-hydroxy-2-propen-2-yl)transdecalene (4R,4aS,5R,8S,8aR)-8-(1-formylvinyl)-4-hydroxy-5-methyl-7-oxo-3,4,4a,5,6,7,8,8a-octahydro-2-naphthalenecarboxylic acid PANAL
Wiley ID 1281880