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(+)-O-methylkolavelool
SpectraBase Compound ID 3w853aq3Hkz
InChI InChI=1S/C21H36O/c1-8-19(4,22-7)14-15-21(6)17(3)12-13-20(5)16(2)10-9-11-18(20)21/h8,10,17-18H,1,9,11-15H2,2-7H3/t17-,18+,19?,20+,21+/m0/s1
InChIKey VRVYZZJPEDVTBX-POFDQXHJSA-N
Mol Weight 304.5 g/mol
Molecular Formula C21H36O
Exact Mass 304.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0L5ZRZfFky
Name (+)-O-methylkolavelool
Alternate Name(s) (3S,4R,4aS,8aS)-4-(3-methoxy-3-methylpent-4-en-1-yl)-3,4,8,8a-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O
InChI InChI=1S/C21H36O/c1-8-19(4,22-7)14-15-21(6)17(3)12-13-20(5)16(2)10-9-11-18(20)21/h8,10,17-18H,1,9,11-15H2,2-7H3/t17-,18+,19?,20+,21+/m0/s1
InChIKey VRVYZZJPEDVTBX-POFDQXHJSA-N
Literature Reference DOI 10.1002/cbic.201402652
Molecular Weight 304.518 g/mol
SMILES C1C=C(C)[C@@]2(C)CC[C@](C)([C@@](CCC(C)(C=C)OC)([C@]2([H])C1)C)[H]
SPLASH splash10-000i-9200000000-1f235f41ba15ccbe665b
Source of Spectrum CBC-16-780-11
Wiley ID 1786856