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Anthraergosta-5,7,9(10),14,22-pentene

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Anthraergosta-5,7,9(10),14,22-pentene
SpectraBase Compound ID FtJuTljaPyc
InChI InChI=1S/C28H40/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/h11-12,14,17-20,26H,7-10,13,15-16H2,1-6H3/b12-11+/t19-,20+,26+,28+/m0/s1
InChIKey DOIHKZDHFWSUBN-WFMPARINSA-N
Mol Weight 376.6 g/mol
Molecular Formula C28H40
Exact Mass 376.313001 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IMWTdgk7F6m
Name Anthraergosta-5,7,9(10),14,22-pentene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.313001288 u
Formula C28H40
InChI InChI=1S/C28H40/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/h11-12,14,17-20,26H,7-10,13,15-16H2,1-6H3/b12-11+/t19-,20+,26+,28+/m0/s1
InChIKey DOIHKZDHFWSUBN-WFMPARINSA-N
Molecular Weight 376.628 g/mol
SMILES C1(=C2C(=CC3=C1CC[C@]1(C3=CC[C@@]1([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])C)CCCC2)C