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4-Hexen-2-ol, 5-(octahydro-6,8a-dimethylpyrano[3,2-b]pyran-2-yl)-, benzoate, [2R-[2.alpha.(2S*,4E),4a.beta.,6.alpha.,8a.alpha.]]-
SpectraBase Compound ID 9fODaoKWfHh
InChI InChI=1S/C23H32O4/c1-16(10-11-17(2)26-22(24)19-8-6-5-7-9-19)20-12-13-21-23(4,27-20)15-14-18(3)25-21/h5-10,17-18,20-21H,11-15H2,1-4H3/b16-10+/t17-,18-,20+,21+,23-/m0/s1
InChIKey GRYOHGKCRJBZFO-LOXAYNCASA-N
Mol Weight 372.5 g/mol
Molecular Formula C23H32O4
Exact Mass 372.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GzbwJCusqAB
Name 4-Hexen-2-ol, 5-(octahydro-6,8a-dimethylpyrano[3,2-b]pyran-2-yl)-, benzoate, [2R-[2.alpha.(2S*,4E),4a.beta.,6.alpha.,8a.alpha.]]-
CAS Registry Number 128243-77-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O4
InChI InChI=1S/C23H32O4/c1-16(10-11-17(2)26-22(24)19-8-6-5-7-9-19)20-12-13-21-23(4,27-20)15-14-18(3)25-21/h5-10,17-18,20-21H,11-15H2,1-4H3/b16-10+/t17-,18-,20+,21+,23-/m0/s1
InChIKey GRYOHGKCRJBZFO-LOXAYNCASA-N
Molecular Weight 372.505 g/mol
SMILES [C@@]12(O[C@@](\C(=C\C[C@@](OC(=O)c3ccccc3)(C)[H])C)(CC[C@]2(O[C@](CC1)(C)[H])[H])[H])C
SPLASH splash10-0002-9210000000-735dc52e9fb41e7b818d
Source of Spectrum J-55-5097-26
Synonyms Pyrano[3,2-b]pyran, 4-hexen-2-ol deriv. (1S,3E)-4-[(2R,4aR,6S,8aS)-6,8a-dimethyloctahydropyrano[3,2-b]pyran-2-yl]-1-methyl-3-pentenyl benzoate (2R,4aR,6S,8aS)-2-[(E,S)-4-benzoyloxy-1-methylpent-1-enyl]octahydro-6,8a-dimethylpyrano[3,2-b]pyran
Wiley ID 1355739