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Methyl 14R-acetoxy-13,14-seco-totaran-13-oate

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Methyl 14R-acetoxy-13,14-seco-totaran-13-oate
SpectraBase Compound ID 3VBtCZnoVxp
InChI InChI=1S/C23H40O4/c1-15(2)21(27-16(3)24)17-9-11-19-22(4,5)13-8-14-23(19,6)18(17)10-12-20(25)26-7/h15,17-19,21H,8-14H2,1-7H3/t17-,18+,19?,21-,23-/m1/s1
InChIKey CPLQVLLXLMHPBI-HBJUJSCYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8siZqJEF0gD
Name Methyl 14R-acetoxy-13,14-seco-totaran-13-oate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-15(2)21(27-16(3)24)17-9-11-19-22(4,5)13-8-14-23(19,6)18(17)10-12-20(25)26-7/h15,17-19,21H,8-14H2,1-7H3/t17-,18+,19?,21-,23-/m1/s1
InChIKey CPLQVLLXLMHPBI-HBJUJSCYSA-N
Molecular Weight 380.569 g/mol
SMILES [C@@]12([C@]([C@@]([C@](OC(=O)C)(C(C)C)[H])([H])CCC2C(C)(C)CCC1)(CCC(=O)OC)[H])C