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Anthiaergosta-5,7,9,22-tetraene

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Anthiaergosta-5,7,9,22-tetraene
SpectraBase Compound ID EKoE1FVmtdS
InChI InChI=1S/C28H42/c1-18(2)19(3)11-12-20(4)26-13-14-27-25-17-22-9-7-8-10-23(22)21(5)24(25)15-16-28(26,27)6/h11-12,17-20,26-27H,7-10,13-16H2,1-6H3/b12-11+/t19-,20+,26+,27-,28+/m0/s1
InChIKey RDIUVHACJLBYIW-KBDAOXQOSA-N
Mol Weight 378.6 g/mol
Molecular Formula C28H42
Exact Mass 378.328651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3AI1CLOpF25
Name Anthiaergosta-5,7,9,22-tetraene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.328651352 u
Formula C28H42
InChI InChI=1S/C28H42/c1-18(2)19(3)11-12-20(4)26-13-14-27-25-17-22-9-7-8-10-23(22)21(5)24(25)15-16-28(26,27)6/h11-12,17-20,26-27H,7-10,13-16H2,1-6H3/b12-11+/t19-,20+,26+,27-,28+/m0/s1
InChIKey RDIUVHACJLBYIW-KBDAOXQOSA-N
Molecular Weight 378.644 g/mol
SMILES CC1=C2C(=CC3=C1CC[C@]1([C@]3(CC[C@@]1([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C)CCCC2