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TUPSIGENIN;1-BETA,3-ALPHA,26-TRIHYDROXY-FUROSPIROSTAN-5-ENE
SpectraBase Compound ID 3D7le8gH513
InChI InChI=1S/C27H42O5/c1-15-23-21(31-27(15)10-9-24(2,14-28)32-27)13-20-18-6-5-16-11-17(29)12-22(30)26(16,4)19(18)7-8-25(20,23)3/h5,15,17-23,28-30H,6-14H2,1-4H3/t15-,17-,18+,19-,20-,21-,22+,23-,24+,25-,26-,27-/m0/s1
InChIKey SBYNPGMOHLOPMF-FYWBRBNOSA-N
Mol Weight 446.6 g/mol
Molecular Formula C27H42O5
Exact Mass 446.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1aOwJ9QcJ6
Name TUPSIGENIN;1-BETA,3-ALPHA,26-TRIHYDROXY-FUROSPIROSTAN-5-ENE
Compound Number 85
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O5
InChI InChI=1S/C27H42O5/c1-15-23-21(31-27(15)10-9-24(2,14-28)32-27)13-20-18-6-5-16-11-17(29)12-22(30)26(16,4)19(18)7-8-25(20,23)3/h5,15,17-23,28-30H,6-14H2,1-4H3/t15-,17-,18+,19-,20-,21-,22+,23-,24+,25-,26-,27-/m0/s1
InChIKey SBYNPGMOHLOPMF-FYWBRBNOSA-N
Literature Reference Author P.K.AGRAWAL,D.C.JAIN,A.K.PATHAK
Literature Reference Citation MAGN.RES.CHEM.,33,923(1995)
Literature Reference DOI 10.1002/mrc.1260331202
Molecular Weight 446.627 g/mol
Solvent CDCl3
Source File Reference UWCS22173