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SCUTEREPENIN-G2;(4R,7R,11S,13R)-6-ALPHA-O-CIS-CINNAMOYL-1,16:4,18:11,16-TRIEPOXY-NEOCLERODANE-6,7,15-TRIOL
SpectraBase Compound ID EibrWDkug2r
InChI InChI=1S/C29H38O7/c1-17-23(32)25(36-22(31)10-9-18-7-5-4-6-8-18)28(3)24-20(11-13-29(28)16-33-29)34-26-19(12-14-30)15-21(35-26)27(17,24)2/h4-10,17,19-21,23-26,30,32H,11-16H2,1-3H3/b10-9-/t17-,19-,20-,21+,23-,24-,25-,26-,27-,28+,29+/m1/s1
InChIKey PKOQDWSZWMKUAL-CFEMJVGSSA-N
Mol Weight 498.6 g/mol
Molecular Formula C29H38O7
Exact Mass 498.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ED6AOuWXVPm
Name SCUTEREPENIN-G2;(4R,7R,11S,13R)-6-ALPHA-O-CIS-CINNAMOYL-1,16:4,18:11,16-TRIEPOXY-NEOCLERODANE-6,7,15-TRIOL
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H38O7
InChI InChI=1S/C29H38O7/c1-17-23(32)25(36-22(31)10-9-18-7-5-4-6-8-18)28(3)24-20(11-13-29(28)16-33-29)34-26-19(12-14-30)15-21(35-26)27(17,24)2/h4-10,17,19-21,23-26,30,32H,11-16H2,1-3H3/b10-9-/t17-,19-,20-,21+,23-,24-,25-,26-,27-,28+,29+/m1/s1
InChIKey PKOQDWSZWMKUAL-CFEMJVGSSA-N
Literature Reference Author H.KIZU,N.SUGITA,T.TOMIMORI
Literature Reference Citation CHEM.PHARM.BULL.,46,988(1998)
Literature Reference DOI 10.1248/cpb.46.988
Molecular Weight 498.617 g/mol
Solvent C5D5N
Source File Reference UWMS6504