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Ergostan-12-one, 3-(acetyloxy)-, (3.beta.)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Ergostan-12-one, 3-(acetyloxy)-, (3.beta.)-
SpectraBase Compound ID KO3kwBCxfdB
InChI InChI=1S/C30H50O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(33-21(5)31)14-15-29(22,6)27(24)17-28(32)30(25,26)7/h18-20,22-27H,8-17H2,1-7H3
InChIKey OSZVUPFGZRJYAJ-UHFFFAOYSA-N
Mol Weight 458.7 g/mol
Molecular Formula C30H50O3
Exact Mass 458.375995 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fDrlRW3Why
Name Ergostan-12-one, 3-(acetyloxy)-, (3.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.375995467 u
Formula C30H50O3
InChI InChI=1S/C30H50O3/c1-18(2)19(3)8-9-20(4)25-12-13-26-24-11-10-22-16-23(33-21(5)31)14-15-29(22,6)27(24)17-28(32)30(25,26)7/h18-20,22-27H,8-17H2,1-7H3
InChIKey OSZVUPFGZRJYAJ-UHFFFAOYSA-N
Molecular Weight 458.727 g/mol
SMILES C[C@]12[C@]([C@]3([C@](CC2=O)([C@]2(C)C(CC3)C[C@](CC2)(OC(C)=O)[H])[H])[H])(CC[C@@]1([C@@](CC[C@](C(C)C)(C)[H])(C)[H])[H])[H]