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Anthiaergosatn-5,7,9,22-tetraen, 3-acetoxy-

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Anthiaergosatn-5,7,9,22-tetraen, 3-acetoxy-
SpectraBase Compound ID 227Swrmnjm9
InChI InChI=1S/C30H44O2/c1-18(2)19(3)8-9-20(4)28-12-13-29-27-16-23-10-11-24(32-22(6)31)17-26(23)21(5)25(27)14-15-30(28,29)7/h8-9,16,18-20,24,28-29H,10-15,17H2,1-7H3/b9-8+
InChIKey FDLIJMRETUHXNE-CMDGGOBGSA-N
Mol Weight 436.7 g/mol
Molecular Formula C30H44O2
Exact Mass 436.334131 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A4bbX2pYASx
Name Anthiaergosatn-5,7,9,22-tetraen, 3-acetoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.334130655 u
Formula C30H44O2
InChI InChI=1S/C30H44O2/c1-18(2)19(3)8-9-20(4)28-12-13-29-27-16-23-10-11-24(32-22(6)31)17-26(23)21(5)25(27)14-15-30(28,29)7/h8-9,16,18-20,24,28-29H,10-15,17H2,1-7H3/b9-8+
InChIKey FDLIJMRETUHXNE-CMDGGOBGSA-N
Molecular Weight 436.680 g/mol
SMILES CC1=C2C(=CC3=C1CCC1(C3CCC1C(C)\C=C\C(C)C(C)C)C)CCC(C2)OC(C)=O