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Methyl 13-(1'-hydroxy-1'-methylethyl)-2.alpha.-hydroxy-7-oxo-podocarpa-8,11,13-trien-15-oate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl 13-(1'-hydroxy-1'-methylethyl)-2.alpha.-hydroxy-7-oxo-podocarpa-8,11,13-trien-15-oate
SpectraBase Compound ID 6B0eQc5fQSe
InChI InChI=1S/C21H28O5/c1-19(2,25)12-6-7-15-14(8-12)16(23)9-17-20(15,3)10-13(22)11-21(17,4)18(24)26-5/h6-8,13,17,22,25H,9-11H2,1-5H3/t13-,17?,20-,21?/m1/s1
InChIKey CFXVKQKOQDNTRV-HHJFEYMTSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KLB0AtLNWUD
Name Methyl 13-(1'-hydroxy-1'-methylethyl)-2.alpha.-hydroxy-7-oxo-podocarpa-8,11,13-trien-15-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 360.193673997 u
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-19(2,25)12-6-7-15-14(8-12)16(23)9-17-20(15,3)10-13(22)11-21(17,4)18(24)26-5/h6-8,13,17,22,25H,9-11H2,1-5H3/t13-,17?,20-,21?/m1/s1
InChIKey CFXVKQKOQDNTRV-HHJFEYMTSA-N
Molecular Weight 360.450 g/mol
SMILES [C@@]12(C(C(C(=O)OC)(C)C[C@@](C2)(O)[H])CC(C2=C1C=CC(C(O)(C)C)=C2)=O)C