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(1R,3R,4S,5S,9R,10R,11R)-1,9-Diacetyloxy-3-hydroxy-7-oxolongipinane
SpectraBase Compound ID INuOMmmI0jz
InChI InChI=1S/C19H28O6/c1-9(20)24-11-8-18(5,23)16-15-14(11)19(16,6)13(25-10(2)21)7-12(22)17(15,3)4/h11,13-16,23H,7-8H2,1-6H3/t11-,13-,14-,15+,16-,18-,19+/m1/s1
InChIKey JFIBZHOUBKSKHL-YCOSEBASSA-N
Mol Weight 352.43 g/mol
Molecular Formula C19H28O6
Exact Mass 352.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32tLx5hgvtg
Name (1R,3R,4S,5S,9R,10R,11R)-1,9-Diacetyloxy-3-hydroxy-7-oxolongipinane
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O6
InChI InChI=1S/C19H28O6/c1-9(20)24-11-8-18(5,23)16-15-14(11)19(16,6)13(25-10(2)21)7-12(22)17(15,3)4/h11,13-16,23H,7-8H2,1-6H3/t11-,13-,14-,15+,16-,18-,19+/m1/s1
InChIKey JFIBZHOUBKSKHL-YCOSEBASSA-N
Instrument Name Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np020158s
Molecular Weight 352.427 g/mol
Optical Rotation [a]D = +12 (589 nm), +16 (578 nm), +16 (546 nm), +36 (436 nm), +104 (365 nm) (c = 0.03, CHCl3)
Reported Formula C19H28O6
SMILES O[C@]1([C@]2([C@]3(C(C(C[C@]([C@]2([C@@]3([C@](OC(=O)C)(C1)[H])[H])C)(OC(C)=O)[H])=O)(C)C)[H])[H])C
SPLASH splash10-00ed-4910000000-c9098019bd65d912537b
Source of Spectrum G4-65-1409-40
Wiley ID 1883400