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(1S,4aS,10aR)-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-5-oxidanyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one

View entire compound with spectra: 1 MS (GC)

(1S,4aS,10aR)-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-5-oxidanyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
SpectraBase Compound ID AkMU3cNFK1D
InChI InChI=1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m1/s1
InChIKey XGRBHDJWRPUKMD-TYCQWZJGSA-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 3iAOM8iTsO
Name (1S,4aS,10aR)-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-5-oxidanyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
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Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-12(2)14-10-15(23)18-13(19(14)25-5)6-7-16-20(18,3)9-8-17(24)21(16,4)11-22/h10,12,16,22-23H,6-9,11H2,1-5H3/t16-,20+,21-/m1/s1
InChIKey XGRBHDJWRPUKMD-TYCQWZJGSA-N
Molecular Weight 346.467 g/mol
SMILES Oc1cc(c(c2c1[C@@]1([C@]([C@@](CO)(C(CC1)=O)C)(CC2)[H])C)OC)C(C)C
SPLASH splash10-00nf-8980000000-502db6c0e5e633ffb1be
Source of Spectrum G4-62-1524-4
Synonyms (1S,4aS,10aR)-5-hydroxy-1-(hydroxymethyl)-7-isopropyl-8-methoxy-1,4a-dimethyl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one (1S,4aS,10aR)-5-hydroxy-1-(hydroxymethyl)-8-methoxy-1,4a-dimethyl-7-propan-2-yl-4,9,10,10a-tetrahydro-3H-phenanthren-2-one (1S,4aS,10aR)-5-hydroxy-7-isopropyl-8-methoxy-1,4a-dimethyl-1-methylol-4,9,10,10a-tetrahydro-3H-phenanthren-2-one
Wiley ID 1608129