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(1R,3S,4S,5S,9R,10R,11R)-1,9-Diacetyloxy-7-oxolongipinane
SpectraBase Compound ID 7jzuXl5aBhB
InChI InChI=1S/C19H28O5/c1-9-7-12(23-10(2)20)16-17-15(9)19(16,6)14(24-11(3)21)8-13(22)18(17,4)5/h9,12,14-17H,7-8H2,1-6H3/t9-,12+,14+,15-,16+,17-,19+/m0/s1
InChIKey BPVUTVJNJUWIQB-RELFKOADSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Q8MXeHxm4O
Name (1R,3S,4S,5S,9R,10R,11R)-1,9-Diacetyloxy-7-oxolongipinane
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-9-7-12(23-10(2)20)16-17-15(9)19(16,6)14(24-11(3)21)8-13(22)18(17,4)5/h9,12,14-17H,7-8H2,1-6H3/t9-,12+,14+,15-,16+,17-,19+/m0/s1
InChIKey BPVUTVJNJUWIQB-RELFKOADSA-N
Instrument Name Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np020158s
Molecular Weight 336.428 g/mol
Optical Rotation [a]D = +1 (589 nm), +2 (578 nm), +3 (546 nm), +27 (436 nm), +121 (365 nm) (c = 0.16, CHCl3)
Reported Formula C19H28O5
SMILES [C@@]1(OC(=O)C)([C@@]2([H])[C@]3(C)[C@@](CC(=O)C(C)(C)[C@@]2([H])[C@]3([H])[C@@](C)(C1)[H])(OC(C)=O)[H])[H]
SPLASH splash10-006t-7930000000-c436eb77dfbbbe19cffc
Source of Spectrum G4-65-1409-19
Wiley ID 1883381