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TUBEROSIC-METHYLESTER
SpectraBase Compound ID KXtjajtURtL
InChI InChI=1S/C31H50O2/c1-20(26(32)33-8)21-12-17-28(4)22(21)13-18-30(6)24(28)10-11-25-29(5)16-9-15-27(2,3)23(29)14-19-31(25,30)7/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,28+,29+,30-,31-/m1/s1
InChIKey YEQPIOWVQRHGJC-ZTDMLWCVSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H50O2
Exact Mass 454.381081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92qiEg1qPU
Name TUBEROSIC-ACID-METHYLESTER;METHYL-HOP-22(29)-EN-30-OATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H50O2
InChI InChI=1S/C31H50O2/c1-20(26(32)33-8)21-12-17-28(4)22(21)13-18-30(6)24(28)10-11-25-29(5)16-9-15-27(2,3)23(29)14-19-31(25,30)7/h21-25H,1,9-19H2,2-8H3/t21-,22+,23+,24-,25-,28+,29+,30-,31-/m1/s1
InChIKey YEQPIOWVQRHGJC-ZTDMLWCVSA-N
Literature Reference Author C.P.DUTTA,J.BANERJEE,D.DATTA,U.K.SOM,T.EGUCHI,C.MURASAKI,K.K AKINUMA,Y.FUJIMOTO
Literature Reference Citation PHYTOCHEM.,33,240(1993)
Literature Reference DOI 10.1016/0031-9422(93)85434-S
Molecular Weight 454.737 g/mol
Solvent CDCl3
Source File Reference UWVN6341