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(1S,3S,4R,7S)-10-Acetoxy-9-hydroxy-amphilecta-8.10,12,14-tetraene

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(1S,3S,4R,7S)-10-Acetoxy-9-hydroxy-amphilecta-8.10,12,14-tetraene
SpectraBase Compound ID 1ysVPtPdbSj
InChI InChI=1S/C22H30O3/c1-11(2)9-16-10-13(4)17-8-7-12(3)18-20(17)19(16)14(5)22(21(18)24)25-15(6)23/h9,12-13,16-17,24H,7-8,10H2,1-6H3/t12-,13-,16+,17+/m0/s1
InChIKey NLMOHWIGMGUSPG-WRFANHODSA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEie0wo8uQs
Name (1S,3S,4R,7S)-10-Acetoxy-9-hydroxy-amphilecta-8.10,12,14-tetraene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.219494823 u
Formula C22H30O3
InChI InChI=1S/C22H30O3/c1-11(2)9-16-10-13(4)17-8-7-12(3)18-20(17)19(16)14(5)22(21(18)24)25-15(6)23/h9,12-13,16-17,24H,7-8,10H2,1-6H3/t12-,13-,16+,17+/m0/s1
InChIKey NLMOHWIGMGUSPG-WRFANHODSA-N
Molecular Weight 342.479 g/mol
SMILES C1=2C3=C([C@@](C)(CC[C@]3([H])[C@](C[C@]1(C=C(C)C)[H])(C)[H])[H])C(=C(C2C)OC(=O)C)O