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Anthiaergostan-5,7,9,22-tetraen-3-one

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Anthiaergostan-5,7,9,22-tetraen-3-one
SpectraBase Compound ID K5QBq0NR5Kl
InChI InChI=1S/C28H40O/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/h7-8,15,17-19,26-27H,9-14,16H2,1-6H3/b8-7+/t18-,19+,26+,27-,28+/m0/s1
InChIKey SRCMGGFGVXDLJD-IOPNKZGJSA-N
Mol Weight 392.6 g/mol
Molecular Formula C28H40O
Exact Mass 392.307916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4fY3DJUf90m
Name Anthiaergostan-5,7,9,22-tetraen-3-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.307915907 u
Formula C28H40O
InChI InChI=1S/C28H40O/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/h7-8,15,17-19,26-27H,9-14,16H2,1-6H3/b8-7+/t18-,19+,26+,27-,28+/m0/s1
InChIKey SRCMGGFGVXDLJD-IOPNKZGJSA-N
Molecular Weight 392.627 g/mol
SMILES CC1=C2C(=CC3=C1CC[C@]1([C@]3(CC[C@@]1([C@](C)(\C=C\[C@](C)(C(C)C)[H])[H])[H])[H])C)CCC(C2)=O