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(1R,3R,4S,5S,6S,9R,10R,11R)-9,13-Diacetoxylongipinan-1-ol
SpectraBase Compound ID HOAoh7MSsDw
InChI InChI=1S/C19H30O5/c1-10-8-13(22)16-17-15(10)19(16,5)14(24-12(3)21)6-7-18(17,4)9-23-11(2)20/h10,13-17,22H,6-9H2,1-5H3/t10-,13-,14-,15+,16-,17+,18-,19-/m1/s1
InChIKey QMVXMZDLURCYEK-RIWWOLMZSA-N
Mol Weight 338.44 g/mol
Molecular Formula C19H30O5
Exact Mass 338.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4up9jTqQdka
Name (1R,3R,4S,5S,6S,9R,10R,11R)-9,13-Diacetoxylongipinan-1-ol
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O5
InChI InChI=1S/C19H30O5/c1-10-8-13(22)16-17-15(10)19(16,5)14(24-12(3)21)6-7-18(17,4)9-23-11(2)20/h10,13-17,22H,6-9H2,1-5H3/t10-,13-,14-,15+,16-,17+,18-,19-/m1/s1
InChIKey QMVXMZDLURCYEK-RIWWOLMZSA-N
Instrument Name Varian Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c01160
Molecular Weight 338.444 g/mol
Optical Rotation [a] = -15 (589 nm), -16 (578 nm), -18 (546 nm), -30 (436 nm), -44 (365 nm) (c = 1.0, CHCl3)
Reported Formula C19H30O5
SMILES O[C@@]1(C[C@]([C@]2([C@]3([C@@]1([C@@]2([C@@](CC[C@]3(C)COC(C)=O)(OC(C)=O)[H])C)[H])[H])[H])(C)[H])[H]
SPLASH splash10-0006-8920000000-1884f129d19e73cde3b7
Source of Spectrum G4-84-1093-5
Wiley ID 1884138