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2-Oxo-7.alpha.,10a.beta.-dimethyl-8.beta.-methoxy-4.alpha.-(1-methylethyl)-1,4,5,6,6a.alpha.,7,8,9,10,10a-decahydro-2H-naphtho[2,1-c]ptran-7.beta.-carboxylic acid
SpectraBase Compound ID IAexJroYnzu
InChI InChI=1S/C20H30O5/c1-11(2)17-12-6-7-14-19(3,13(12)10-16(21)25-17)9-8-15(24-5)20(14,4)18(22)23/h10-12,14-15,17H,6-9H2,1-5H3,(H,22,23)/t12?,14-,15+,17-,19-,20-/m0/s1
InChIKey BZKVGCKDPUHVOT-UEDIPODMSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FubQdh8ZmUM
Name 2-Oxo-7.alpha.,10a.beta.-dimethyl-8.beta.-methoxy-4.alpha.-(1-methylethyl)-1,4,5,6,6a.alpha.,7,8,9,10,10a-decahydro-2H-naphtho[2,1-c]ptran-7.beta.-carboxylic acid
CAS Registry Number 104761-98-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-11(2)17-12-6-7-14-19(3,13(12)10-16(21)25-17)9-8-15(24-5)20(14,4)18(22)23/h10-12,14-15,17H,6-9H2,1-5H3,(H,22,23)/t12?,14-,15+,17-,19-,20-/m0/s1
InChIKey BZKVGCKDPUHVOT-UEDIPODMSA-N
Molecular Weight 350.455 g/mol
SMILES OC([C@]1([C@@]2([C@](C=3C([C@](C(C)C)(OC(C3)=O)[H])CC2)(CC[C@]1(OC)[H])C)[H])C)=O
SPLASH splash10-001i-1893000000-c3ab2b970b461aedfaf3
Source of Spectrum J-51-4598-13
Synonyms (4S,6aS,7S,8R,10aR)-4-isopropyl-8-methoxy-7,10a-dimethyl-2-oxo-4,4a,5,6,6a,7,8,9,10,10a-decahydro-2H-naphtho[2,1-c]pyran-7-carboxylic acid
Wiley ID 1342006