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NOSCOMIN;8-[(5-CARBOXY-2-HYDROXY)-BENZYL]-2-HYDROXY-1,1,4A,7,8-PENTAMETHYL-1,2,3,4,4A,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

NOSCOMIN;8-[(5-CARBOXY-2-HYDROXY)-BENZYL]-2-HYDROXY-1,1,4A,7,8-PENTAMETHYL-1,2,3,4,4A,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE
SpectraBase Compound ID 4RvoDaxky56
InChI InChI=1S/C27H38O4/c1-16-6-8-19-20(9-11-22-25(2,3)23(29)12-13-26(19,22)4)27(16,5)15-18-14-17(24(30)31)7-10-21(18)28/h7-8,10,14,16,20,22-23,28-29H,6,9,11-13,15H2,1-5H3,(H,30,31)/t16-,20-,22-,23-,26+,27-/m1/s1
InChIKey HWGPBUBDNCZOBN-FVBFRTCBSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5l4wrLd5xzO
Name NOSCOMIN;8-[(5-CARBOXY-2-HYDROXY)-BENZYL]-2-HYDROXY-1,1,4A,7,8-PENTAMETHYL-1,2,3,4,4A,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-16-6-8-19-20(9-11-22-25(2,3)23(29)12-13-26(19,22)4)27(16,5)15-18-14-17(24(30)31)7-10-21(18)28/h7-8,10,14,16,20,22-23,28-29H,6,9,11-13,15H2,1-5H3,(H,30,31)/t16-,20-,22-,23-,26+,27-/m1/s1
InChIKey HWGPBUBDNCZOBN-FVBFRTCBSA-N
Literature Reference Author B.JAKI,J.ORJALA,O.STICHER
Literature Reference Citation J.NAT.PROD.,62,502(1999)
Literature Reference DOI 10.1021/np980444x
Molecular Weight 426.596 g/mol
Solvent CD3OD
Source File Reference UWCP7785