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(4aS,5R,6S,8R,8aS)-5-[2-(3-furanyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid

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(4aS,5R,6S,8R,8aS)-5-[2-(3-furanyl)ethyl]-8-hydroxy-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
SpectraBase Compound ID HDH81VVp6vi
InChI InChI=1S/C20H28O4/c1-13-11-17(21)20(3)15(18(22)23)5-4-6-16(20)19(13,2)9-7-14-8-10-24-12-14/h5,8,10,12-13,16-17,21H,4,6-7,9,11H2,1-3H3,(H,22,23)/t13-,16-,17+,19+,20+/m0/s1
InChIKey XWKYXEIGWQYOCY-QHCBNBHTSA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 75JMO5if6nN
Name (4as,5R,6S,8R,8as)-5-[2-(3-Furanyl)ethyl]-8-hydroxy-5,6,8A-trimethyl-3,4,4A,6,7,8-hexahydronaphthalene-1-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.198759378 u
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-13-11-17(21)20(3)15(18(22)23)5-4-6-16(20)19(13,2)9-7-14-8-10-24-12-14/h5,8,10,12-13,16-17,21H,4,6-7,9,11H2,1-3H3,(H,22,23)/t13-,16-,17+,19+,20+/m0/s1
InChIKey XWKYXEIGWQYOCY-QHCBNBHTSA-N
Molecular Weight 332.440 g/mol
SMILES [C@]12([C@]([C@@](CCC3=COC=C3)(C)[C@](C[C@]1(O)[H])(C)[H])(CCC=C2C(=O)O)[H])C