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ARMATIN-B;2-ALPHA-HYDROXY-(7-ALPHA-H)-LEMNAL-1-(10)-EN-12-ONE
SpectraBase Compound ID JZabqYIG2uO
InChI InChI=1S/C15H22O3/c1-8-6-11(16)7-10-4-5-12-13(15(8,10)3)9(2)14(17)18-12/h7-9,11-13,16H,4-6H2,1-3H3/t8-,9-,11-,12+,13-,15+/m0/s1
InChIKey MDIDXXJDMAGSFD-CUDWNRDVSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ij8GG3Qdngf
Name 2.alpha.-hydroxy-(7.alpha.H)-lemnal-1(10)-en-12-one
Alternate Name(s) Armatin B
Appearance Colorless amorphous solid
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-8-6-11(16)7-10-4-5-12-13(15(8,10)3)9(2)14(17)18-12/h7-9,11-13,16H,4-6H2,1-3H3/t8-,9-,11-,12+,13-,15+/m0/s1
InChIKey MDIDXXJDMAGSFD-CUDWNRDVSA-N
Instrument Name JEOL JMS-SX/SX 102A
Ionization Type EI
Literature Reference DOI 10.1021/np0400858
Molecular Weight 250.338 g/mol
Optical Rotation [a]D25 = -243 (c = 0.8, CHCl3)
Reported Formula C15H22O3
SMILES O[C@@]1(C=C2[C@@]([C@](C1)(C)[H])([C@@]1([C@@](CC2)(OC([C@]1(C)[H])=O)[H])[H])C)[H]
SPLASH splash10-05ai-5900000000-3532184e20f1a6d56b9d
Source of Spectrum G4-67-1458-2
Wiley ID 1881906