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Bacchotricuneatin d
SpectraBase Compound ID J3xLoIxUFsl
InChI InChI=1S/C20H30O3/c1-14-17(22)11-20(3)16(12-21)5-4-6-18(20)19(14,2)9-7-15-8-10-23-13-15/h5,8,10,13-14,17-18,21-22H,4,6-7,9,11-12H2,1-3H3/t14-,17-,18+,19-,20+/m0/s1
InChIKey NEORVESKQJMKKB-LXPIXPORSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQdwoSmRhX4
Name Bacchotricuneatin d
CAS Registry Number 66563-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-14-17(22)11-20(3)16(12-21)5-4-6-18(20)19(14,2)9-7-15-8-10-23-13-15/h5,8,10,13-14,17-18,21-22H,4,6-7,9,11-12H2,1-3H3/t14-,17-,18+,19-,20+/m0/s1
InChIKey NEORVESKQJMKKB-LXPIXPORSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@@]1([C@@]([C@@]([C@@]2([C@@](C(CO)=CCC2)(C1)C)[H])(CCc1cocc1)C)(C)[H])[H]
SPLASH splash10-000x-9720000000-426ebc2959dbd21795f8
Source of Spectrum W5-1989-6969-1
Synonyms (2S,3R,4R,4aR,8aS)-4-[2-(3-furyl)ethyl]-8-(hydroxymethyl)-3,4,8a-trimethyl-1,2,3,4,4a,5,6,8a-octahydro-2-naphthalenol [4aR-(5.alpha.,6.beta.,7.beta.,8a.beta.)]-5-[2-(3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-7-hdyroxy-5,6,8a-trimethyl-1-naphthalenemethanol
Wiley ID 1318793