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15,18-DIHYDROXY-ABIETA-8,11,13-TRIEN-7-ONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

15,18-DIHYDROXY-ABIETA-8,11,13-TRIEN-7-ONE
SpectraBase Compound ID KdoXBPw7zQV
InChI InChI=1S/C20H28O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,17,21,23H,5,8-9,11-12H2,1-4H3/t17-,19-,20+/m0/s1
InChIKey DNAMQWAMMWRLBC-YSIASYRMSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAoskuqyNRf
Name (1R,4aS,10aR)-1-(hydroxymethyl)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Alternate Name(s) (1R,4aS,10aR)-1-(hydroxymethyl)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (1R,4aS,10aR)-1-(hydroxymethyl)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1-methylol-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
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Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-18(2,23)13-6-7-15-14(10-13)16(22)11-17-19(3,12-21)8-5-9-20(15,17)4/h6-7,10,17,21,23H,5,8-9,11-12H2,1-4H3/t17-,19-,20+/m0/s1
InChIKey DNAMQWAMMWRLBC-YSIASYRMSA-N
Molecular Weight 316.441 g/mol
SMILES OC(c1cc2c([C@@]3([C@]([C@](CO)(CCC3)C)(CC2=O)[H])C)cc1)(C)C
SPLASH splash10-0udi-1019000000-8fc75742fabfb24919ed
Source of Spectrum G4-61-1309-2
Wiley ID 1607500