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19-Methyl-3,16,33-trioxatetracyclo[19.4.2.1(7,10)]tetracontan-19-en-21-one
SpectraBase Compound ID 5c5kYXVGMSS
InChI InChI=1S/C38H58O4/c1-33-28-37(39)24-16-12-8-4-2-6-10-14-20-26-40-30-34-22-18-19-23-35(34)31-41-27-21-15-11-7-3-5-9-13-17-25-38-29-36(33)32-42-38/h18-19,22-23,28-29,32H,2-17,20-21,24-27,30-31H2,1H3/b33-28+
InChIKey SLDYWGAYROVUFF-PJJLUWSFSA-N
Mol Weight 578.9 g/mol
Molecular Formula C38H58O4
Exact Mass 578.43351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99cIMt4R8Ns
Name 19-Methyl-3,16,33-trioxatetracyclo[19.4.2.1(7,10)]tetracontan-19-en-21-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 578.433510344 u
Formula C38H58O4
InChI InChI=1S/C38H58O4/c1-33-28-37(39)24-16-12-8-4-2-6-10-14-20-26-40-30-34-22-18-19-23-35(34)31-41-27-21-15-11-7-3-5-9-13-17-25-38-29-36(33)32-42-38/h18-19,22-23,28-29,32H,2-17,20-21,24-27,30-31H2,1H3/b33-28+
InChIKey SLDYWGAYROVUFF-PJJLUWSFSA-N
Molecular Weight 578.878 g/mol
SMILES C=12\C(=C\C(=O)CCCCCCCCCCCOCC=3C(COCCCCCCCCCCCC(=C2)OC1)=CC=CC3)C