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

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Anthiaergostan-5,7,9,22-tetraen-3-ol
SpectraBase Compound ID FvIRjJXvBng
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/h7-8,15,17-19,22,26-27,29H,9-14,16H2,1-6H3/b8-7+
InChIKey VVIZSTDOEMOPIU-BQYQJAHWSA-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 1OoOo0YZ9FC
Name Anthiaergostan-5,7,9,22-tetraen-3-ol
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/h7-8,15,17-19,22,26-27,29H,9-14,16H2,1-6H3/b8-7+
InChIKey VVIZSTDOEMOPIU-BQYQJAHWSA-N
Molecular Weight 394.643 g/mol
SMILES CC1=C2C(=CC3=C1CCC1(C3CCC1C(C)\C=C\C(C)C(C)C)C)CCC(C2)O