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4,7-Azulenediol, 5-[3-(3,3-dimethyloxiranyl)-1-methylpropyl]-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, [3aR-[3a.alpha.,4.alpha.,5.alpha.[S*(R*)],7.alpha.,8a.beta.]]-
SpectraBase Compound ID BEathNhui9X
InChI InChI=1S/C20H32O3/c1-11(7-9-17-20(4,5)23-17)15-10-16(21)13(3)14-8-6-12(2)18(14)19(15)22/h6,11,14-19,21-22H,3,7-10H2,1-2,4-5H3/t11?,14-,15+,16-,17-,18+,19+/m1/s1
InChIKey BQGLZNHPPKAJQD-PBNPSIGWSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OC9rz0DCUF
Name 4,7-Azulenediol, 5-[3-(3,3-dimethyloxiranyl)-1-methylpropyl]-1,3a,4,5,6,7,8,8a-octahydro-3-methyl-8-methylene-, [3aR-[3a.alpha.,4.alpha.,5.alpha.[S*(R*)],7.alpha.,8a.beta.]]-
Alternate Name(s) (3aR,4S,5S,7R,8aS)-5-{3-[(2R)-3,3-dimethyloxiranyl]-1-methylpropyl}-3-methyl-8-methylene-1,3a,4,5,6,7,8,8a-octahydro-4,7-azulenediol
CAS Registry Number 115890-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-11(7-9-17-20(4,5)23-17)15-10-16(21)13(3)14-8-6-12(2)18(14)19(15)22/h6,11,14-19,21-22H,3,7-10H2,1-2,4-5H3/t11?,14-,15+,16-,17-,18+,19+/m1/s1
InChIKey BQGLZNHPPKAJQD-PBNPSIGWSA-N
Molecular Weight 320.473 g/mol
SMILES O[C@]1(C([C@@]2([C@@]([C@]([C@@](C1)(C(CC[C@]1(OC1(C)C)[H])C)[H])(O)[H])(C(=CC2)C)[H])[H])=C)[H]
SPLASH splash10-0a4i-0910000000-ffc023362ef3e9586237
Source of Spectrum J-53-4800-14
Wiley ID 1320445