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1H-3,6a-Methanocyclopent[c]oxocin-4-methanol, 7-(1,5-dimethyl-4-hexenyl)-3,6,7,8,9,9a-hexahydro-, [3R-[3.alpha.,6a.alpha.,7.beta.(R*),9a.beta.]]-
SpectraBase Compound ID 6M9sLxq0KfP
InChI InChI=1S/C20H32O2/c1-14(2)5-4-6-15(3)18-8-7-17-13-22-19-11-20(17,18)10-9-16(19)12-21/h5,9,15,17-19,21H,4,6-8,10-13H2,1-3H3/t15?,17-,18+,19-,20+/m1/s1
InChIKey HZHGDRPITXOZMC-YGDSSSOMSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEqh8RzF0uH
Name 1H-3,6a-Methanocyclopent[c]oxocin-4-methanol, 7-(1,5-dimethyl-4-hexenyl)-3,6,7,8,9,9a-hexahydro-, [3R-[3.alpha.,6a.alpha.,7.beta.(R*),9a.beta.]]-
CAS Registry Number 110623-87-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-14(2)5-4-6-15(3)18-8-7-17-13-22-19-11-20(17,18)10-9-16(19)12-21/h5,9,15,17-19,21H,4,6-8,10-13H2,1-3H3/t15?,17-,18+,19-,20+/m1/s1
InChIKey HZHGDRPITXOZMC-YGDSSSOMSA-N
Molecular Weight 304.474 g/mol
SMILES OCC1=CC[C@@]23C[C@@]1([H])OC[C@]3(CC[C@]2(C(CCC=C(C)C)C)[H])[H]
SPLASH splash10-052r-0791000000-483e29d641175400f714
Source of Spectrum B-39-2119-22
Synonyms 4-Hydroxymethyl-11-(1,5-dimethyl-4-hexenyl)-12-oxa-tricyclo[6.3.1(1,5).0(1,7)]dodec-3-ene [(1R,2S,5S,8R)-2-(1,5-dimethyl-4-hexenyl)-7-oxatricyclo[6.3.1.0(1,5)]dodec-9-en-9-yl]methanol
Wiley ID 1306895