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2-[[(1S,2S,4bS,10aR)-2-hydroxy-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methyl]-6-methoxy-p-benzoquinone

View entire compound with spectra: 1 NMR

2-[[(1S,2S,4bS,10aR)-2-hydroxy-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methyl]-6-methoxy-p-benzoquinone
SpectraBase Compound ID 1T1TCMsWLll
InChI InChI=1S/C27H40O4/c1-24(2)10-7-11-25(3)20(24)8-12-26(4)21(25)9-13-27(5,30)22(26)15-17-14-18(28)16-19(31-6)23(17)29/h14,16,20-22,30H,7-13,15H2,1-6H3/t20?,21?,22-,25-,26+,27-/m0/s1
InChIKey PAWAOTBHRVGBBQ-QRARLIILSA-N
Mol Weight 428.6 g/mol
Molecular Formula C27H40O4
Exact Mass 428.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFvrduKbqDp
Name 2-[[(1S,2S,4bS,10aR)-2-hydroxy-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methyl]-6-methoxy-p-benzoquinone
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O4
InChI InChI=1S/C27H40O4/c1-24(2)10-7-11-25(3)20(24)8-12-26(4)21(25)9-13-27(5,30)22(26)15-17-14-18(28)16-19(31-6)23(17)29/h14,16,20-22,30H,7-13,15H2,1-6H3/t20?,21?,22-,25-,26+,27-/m0/s1
InChIKey PAWAOTBHRVGBBQ-QRARLIILSA-N
Literature Reference Author K.WARABI,B.O.PATRICK,P.AUSTIN,C.D.ROSKELLY,M.ROBERGE,R.J.AND ERSEN
Literature Reference Citation J.NAT.PROD.,70,736(2007)
Literature Reference DOI 10.1021/np060481l
Molecular Weight 428.612 g/mol
Sample ID 30209
Solvent ACETONE-D6