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SUGIOLE

View entire compound with spectra: 7 NMR, and 8 MS (GC)

SUGIOLE
SpectraBase Compound ID 8EJhiuUn6A4
InChI InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1
InChIKey IPEHJNRNYPOFII-AZUAARDMSA-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 67SDorFxGLn
Name 9(1H)-Phenanthrenone, 2,3,4,4a,10,10a-hexahydro-6-hydroxy-1,1,4a-trimethyl-7-(1-methylethyl)-, (4aS-trans)-
CAS Registry Number 511-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-12(2)13-9-14-15(10-16(13)21)20(5)8-6-7-19(3,4)18(20)11-17(14)22/h9-10,12,18,21H,6-8,11H2,1-5H3/t18-,20+/m0/s1
InChIKey IPEHJNRNYPOFII-AZUAARDMSA-N
Molecular Weight 300.442 g/mol
SMILES Oc1c(C(C)C)cc2c([C@@]3([C@@](C(C)(C)CCC3)([H])CC2=O)C)c1
SPLASH splash10-014u-9551000000-10ef6298e9f9ca6c10b7
Source of Spectrum T-66-1820-0
Synonyms 12-Hydroxyabieta-8,11,13-trien-7-one 1,1,4a-trimethyl-6-oxidanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one 6-Hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one 6-Hydroxy-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one Podocarpa-8,11,13-trien-7-one, 12-hydroxy-13-isopropyl- Sugiol (4aS,10aS)-6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one (4aS,10aS)-1,1,4a-trimethyl-6-oxidanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one NSC 122421
Wiley ID 44600