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9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-5-hydroxy-1-(hydroxymethyl)-6-methoxy-1,4a- dimethyl-7-(1-methylethyl)-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID HcmjnpMGiLu
InChI InChI=1S/C21H30O4/c1-12(2)13-9-14-15(23)10-16-20(3,11-22)7-6-8-21(16,4)17(14)18(24)19(13)25-5/h9,12,16,22,24H,6-8,10-11H2,1-5H3
InChIKey LPLKQBPEDOWPAT-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BX9eIBhCjrS
Name 9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-5-hydroxy-1-(hydroxymethyl)-6-methoxy-1,4a- dimethyl-7-(1-methylethyl)-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]-
CAS Registry Number 84744-27-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-12(2)13-9-14-15(23)10-16-20(3,11-22)7-6-8-21(16,4)17(14)18(24)19(13)25-5/h9,12,16,22,24H,6-8,10-11H2,1-5H3
InChIKey LPLKQBPEDOWPAT-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES OCC1(C2C(c3c(c(c(cc3C(C2)=O)C(C)C)OC)O)(CCC1)C)C
SPLASH splash10-000y-9045000000-bc2163e6b73112262668
Source of Spectrum H-65-2196-0
Synonyms 11,18-dihydroxy-12-methoxyabieta-8,11,13-trien-7-one 11,19-Dihydroxy-12-methoxy-8,11,13-abietatrien-7-one
Wiley ID 1339478