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Anthiaergosta-5,7,9-trien-3-one

View entire compound with spectra: 1 NMR

Anthiaergosta-5,7,9-trien-3-one
SpectraBase Compound ID GyBxmMhhrbQ
InChI InChI=1S/C28H42O/c1-17(2)18(3)7-8-19(4)26-11-12-27-25-15-21-9-10-22(29)16-24(21)20(5)23(25)13-14-28(26,27)6/h15,17-19,26-27H,7-14,16H2,1-6H3/t18-,19+,26+,27-,28+/m0/s1
InChIKey ABTCSZBEVGCXRX-XASIYUQDSA-N
Mol Weight 394.6 g/mol
Molecular Formula C28H42O
Exact Mass 394.323566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OjyGR8pAB1
Name Anthiaergosta-5,7,9-trien-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.323565971 u
Formula C28H42O
InChI InChI=1S/C28H42O/c1-17(2)18(3)7-8-19(4)26-11-12-27-25-15-21-9-10-22(29)16-24(21)20(5)23(25)13-14-28(26,27)6/h15,17-19,26-27H,7-14,16H2,1-6H3/t18-,19+,26+,27-,28+/m0/s1
InChIKey ABTCSZBEVGCXRX-XASIYUQDSA-N
Molecular Weight 394.643 g/mol
SMILES C1(=C2C(=CC3=C1CC[C@]1([C@]3(CC[C@@]1([C@@](CC[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C)CCC(C2)=O)C