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15-HYDROXY-ABIETA-8,11,13-TRIEN-18-AL

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15-HYDROXY-ABIETA-8,11,13-TRIEN-18-AL
SpectraBase Compound ID BWQ7Ue4ExPY
InChI InChI=1S/C20H28O2/c1-18(2,22)15-7-8-16-14(12-15)6-9-17-19(3,13-21)10-5-11-20(16,17)4/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t17-,19-,20+/m0/s1
InChIKey WDSBRBDWUHDVSB-YSIASYRMSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bFeHiEKaWO
Name (1R,4aS,10aR)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
CAS Registry Number 129432-07-1
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-18(2,22)15-7-8-16-14(12-15)6-9-17-19(3,13-21)10-5-11-20(16,17)4/h7-8,12-13,17,22H,5-6,9-11H2,1-4H3/t17-,19-,20+/m0/s1
InChIKey WDSBRBDWUHDVSB-YSIASYRMSA-N
Molecular Weight 300.442 g/mol
SMILES OC(c1ccc2[C@@]3([C@]([C@@](C=O)(C)CCC3)(CCc2c1)[H])C)(C)C
SPLASH splash10-000l-6191000000-4ebd9fb2acceb2b34cc3
Source of Spectrum B-43-875-31
Synonyms (1R,4aS,10aR)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde (1R,4aS,10aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxaldehyde
Wiley ID 1303362