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3-(1'-Phenylpropylcarbonyloxy)rhinacanthin-A

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

3-(1'-Phenylpropylcarbonyloxy)rhinacanthin-A
SpectraBase Compound ID DMvlzmVDMFW
InChI InChI=1S/C25H24O5/c1-4-16(15-10-6-5-7-11-15)24(28)29-20-14-19-21(26)17-12-8-9-13-18(17)22(27)23(19)30-25(20,2)3/h5-13,16,20H,4,14H2,1-3H3/t16?,20-/m1/s1
InChIKey LNCYXONHPBFUCK-OTOKDRCRSA-N
Mol Weight 404.46 g/mol
Molecular Formula C25H24O5
Exact Mass 404.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5BFWqyUREYn
Name 3-(1'-Phenylpropylcarbonyloxy)rhinacanthin-A
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.162373868 u
Formula C25H24O5
InChI InChI=1S/C25H24O5/c1-4-16(15-10-6-5-7-11-15)24(28)29-20-14-19-21(26)17-12-8-9-13-18(17)22(27)23(19)30-25(20,2)3/h5-13,16,20H,4,14H2,1-3H3/t16?,20-/m1/s1
InChIKey LNCYXONHPBFUCK-OTOKDRCRSA-N
Molecular Weight 404.462 g/mol
SMILES C12=C(OC([C@@](C2)(OC(C(C2=CC=CC=C2)CC)=O)[H])(C)C)C(=O)C=2C(C1=O)=CC=CC2