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(3R,4R,5S,6S,9R,11R)-13-Hydroxymoreli-10(14)-en-1-one
SpectraBase Compound ID 8BqnUsGFNrQ
InChI InChI=1S/C15H22O2/c1-8-6-11(17)13-9(2)10-4-5-15(3,7-16)14(13)12(8)10/h8,10,12-14,16H,2,4-7H2,1,3H3/t8-,10+,12-,13-,14+,15-/m1/s1
InChIKey GCJCRJNPIDBNQQ-QXUFAFEKSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RAPATFkTdJ
Name (3R,4R,5S,6S,9R,11R)-13-Hydroxymoreli-10(14)-en-1-one
Appearance Colorless oil
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Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-8-6-11(17)13-9(2)10-4-5-15(3,7-16)14(13)12(8)10/h8,10,12-14,16H,2,4-7H2,1,3H3/t8-,10+,12-,13-,14+,15-/m1/s1
InChIKey GCJCRJNPIDBNQQ-QXUFAFEKSA-N
Instrument Name Varian Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.0c01160
Molecular Weight 234.339 g/mol
Optical Rotation [a] = +62 (589 nm), +65 (578 nm), +76 (546 nm), +150 (436 nm), +331 (365 nm) (c = 0.9, CHCl3)
Reported Formula C15H22O2
SMILES OC[C@]1(CC[C@]2(C([C@@]3(C(C[C@]([C@]2([C@]13[H])[H])(C)[H])=O)[H])=C)[H])C
SPLASH splash10-0a4i-2930000000-880cf9f6b8a61c9644cc
Source of Spectrum G4-84-1094-7
Wiley ID 1884140