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Ergosta-5,24-dien-3-ol, acetate, (3.beta.)-
SpectraBase Compound ID LAxInL8tRvk
InChI InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,21,24-28H,8-9,11-18H2,1-7H3
InChIKey LUSJRANTKUMKJQ-UHFFFAOYSA-N
Mol Weight 440.7 g/mol
Molecular Formula C30H48O2
Exact Mass 440.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DBOU6AHLQYJ
Name Ergosta-5,24-dien-3-ol, acetate, (3.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.365430784 u
Formula C30H48O2
InChI InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,21,24-28H,8-9,11-18H2,1-7H3
InChIKey LUSJRANTKUMKJQ-UHFFFAOYSA-N
Molecular Weight 440.712 g/mol
SMILES [C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCC(C)=C(C)C)[H])[H])[H])C)[H])[H])C)(OC(=O)C)[H]