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Clionasterol -H2O                   @
SpectraBase Compound ID IGVLrh5q6TK
InChI InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3
InChIKey ICCTZARHLGPHMT-UHFFFAOYSA-N
Mol Weight 396.7 g/mol
Molecular Formula C29H48
Exact Mass 396.375602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ev3BTbLOGRF
Name 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
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Formula C29H48
InChI InChI=1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h8,10,13,20-22,24-27H,7,9,11-12,14-19H2,1-6H3
InChIKey ICCTZARHLGPHMT-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.foodres.2013.11.023
Molecular Weight 396.703 g/mol
SMILES C1C=CC=2C(C1)(C1C(CC2)C2C(CC1)(C(CC2)C(CCC(C(C)C)CC)C)C)C
SPLASH splash10-0002-4934000000-b5238b3a2072f856fbce
Source of Spectrum Colin Crews, et al. Food Research International, 10.1016/j.foodres.2013.11.023
Wiley ID 1817444