John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1J3rlsktYUX SpectraBase Spectrum ID=G3XBK44PRPv

(accessed ).
SCUTELATERIN-C;(11S,13S,15R/S)-6-ALPHA,19-DIACETOXY-2-BETA-(2'-METHYL)-BUTYRYLOXY-4-ALPHA,18;11,16;15,16-TRIEPOXY-NEO-CLERODAN-15-OL
SpectraBase Compound ID 1J3rlsktYUX
InChI InChI=1S/2C29H44O10/c2*1-7-15(2)25(33)37-20-11-21-27(6,22-9-19-10-24(32)39-26(19)38-22)16(3)8-23(36-18(5)31)29(21,14-34-17(4)30)28(12-20)13-35-28/h2*15-16,19-24,26,32H,7-14H2,1-6H3/t15?,16-,19+,20+,21-,22+,23+,24+,26-,27+,28+,29+;15?,16-,19+,20+,21-,22+,23+,24-,26-,27+,28+,29+/m11/s1
InChIKey RQNVZBLHRWQQBU-RSLSJREYSA-N
Mol Weight 1105.3 g/mol
Molecular Formula C58H88O20
Exact Mass 1104.586896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3XBK44PRPv
Name SCUTELATERIN-C;(11S,13S,15R/S)-6-ALPHA,19-DIACETOXY-2-BETA-(2'-METHYL)-BUTYRYLOXY-4-ALPHA,18;11,16;15,16-TRIEPOXY-NEO-CLERODAN-15-OL
Compound Number 5
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H88O20
InChI InChI=1S/2C29H44O10/c2*1-7-15(2)25(33)37-20-11-21-27(6,22-9-19-10-24(32)39-26(19)38-22)16(3)8-23(36-18(5)31)29(21,14-34-17(4)30)28(12-20)13-35-28/h2*15-16,19-24,26,32H,7-14H2,1-6H3/t15?,16-,19+,20+,21-,22+,23+,24+,26-,27+,28+,29+;15?,16-,19+,20+,21-,22+,23+,24-,26-,27+,28+,29+/m11/s1
InChIKey RQNVZBLHRWQQBU-RSLSJREYSA-N
Literature Reference Author M.BRUNO,M.CRUCIATA,M.L.BONDI,F.PIOZZI,M.C.D.L.TORRE,B.RODRIG UEZ,O.SERVETTAZ
Literature Reference Citation PHYTOCHEM.,48,687(1998)
Literature Reference DOI 10.1016/S0031-9422(97)01032-7
Molecular Weight 1105.325 g/mol
Solvent CDCl3
Source File Reference UWMS1146
SpectraBase Batch ID Fo3Yg8GYoos