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7-ALPHA,15-DIHYDROXY-ABIETA-8,11,13-TRIEN-18-AL

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7-ALPHA,15-DIHYDROXY-ABIETA-8,11,13-TRIEN-18-AL
SpectraBase Compound ID 9FkeMxd04SD
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/h6-7,10,12,16-17,22-23H,5,8-9,11H2,1-4H3/t16-,17+,19+,20-/m1/s1
InChIKey ABBATNXLJVFXOI-LCLWPZTBSA-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 Gd9UtwLg8im
Name (1R,4aS,9R,10aR)-1,4a-dimethyl-9-oxidanyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
Alternate Name(s) (1R,4aS,9R,10aR)-9-hydroxy-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde (1R,4aS,9R,10aR)-9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde (1R,4aS,9R,10aR)-9-hydroxy-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxaldehyde
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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/h6-7,10,12,16-17,22-23H,5,8-9,11H2,1-4H3/t16-,17+,19+,20-/m1/s1
InChIKey ABBATNXLJVFXOI-LCLWPZTBSA-N
Molecular Weight 316.441 g/mol
SMILES OC(c1cc2c([C@@]3([C@@](C[C@]2(O)[H])([C@@](CCC3)(C=O)C)[H])C)cc1)(C)C
SPLASH splash10-0udi-0259000000-456aa5797d1a9711e9a0
Source of Spectrum G4-61-1309-1
Wiley ID 1607502