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(1R,3S,4S,5S,7S,10R,11R)-1,7-Dihydroxy-9-oxolongipinane
SpectraBase Compound ID 3Y64RXOjbUg
InChI InChI=1S/C15H24O3/c1-7-5-8(16)12-13-11(7)15(12,4)10(18)6-9(17)14(13,2)3/h7-9,11-13,16-17H,5-6H2,1-4H3/t7-,8+,9-,11-,12+,13-,15+/m0/s1
InChIKey MINIYNDGLWZANE-FWQWRVRVSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZvOJicrxPP
Name (1R,3S,4S,5S,7S,10R,11R)-1,7-Dihydroxy-9-oxolongipinane
Appearance Colorless crystals
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Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-7-5-8(16)12-13-11(7)15(12,4)10(18)6-9(17)14(13,2)3/h7-9,11-13,16-17H,5-6H2,1-4H3/t7-,8+,9-,11-,12+,13-,15+/m0/s1
InChIKey MINIYNDGLWZANE-FWQWRVRVSA-N
Instrument Name Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.1021/np020158s
Molecular Weight 252.354 g/mol
Optical Rotation [a]D = -12 (589 nm), -12 (578 nm), -14 (546 nm), -26 (436 nm), -43 (365 nm) (c = 0.01, EtOH)
Reported Formula C15H24O3
SMILES O[C@]1(CC([C@]2([C@]3([C@]([C@@]2([C@](C[C@]3(O)[H])(C)[H])[H])(C1(C)C)[H])[H])C)=O)[H]
SPLASH splash10-0005-8900000000-bf6022ccd62f5bb2ddc0
Source of Spectrum G4-65-1407-25
Wiley ID 1883386