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Cholest-5-en-3-ol, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-, acetate, (3.beta.)-
SpectraBase Compound ID I49neso7Vw9
InChI InChI=1S/C34H56O4/c1-23(10-9-18-32(3,4)38-31-11-7-8-21-36-31)28-14-15-29-27-13-12-25-22-26(37-24(2)35)16-19-33(25,5)30(27)17-20-34(28,29)6/h12,23,26-31H,7-11,13-22H2,1-6H3/t23-,26+,27?,28-,29?,30?,31?,33+,34-/m1/s1
InChIKey UGQUXVJCQOGZBU-IJHFEAJCSA-N
Mol Weight 528.8 g/mol
Molecular Formula C34H56O4
Exact Mass 528.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AAsJmSLWyTI
Name Cholest-5-en-3-ol, 25-[(tetrahydro-2H-pyran-2-yl)oxy]-, acetate, (3.beta.)-
Alternate Name(s) (25-(Tetrahydro-2H-pyran-2-yl)oxy-5-cholesten-3.beta.-ol)-acetate (3beta)-25-(tetrahydro-2H-pyran-2-yloxy)cholest-5-en-3-yl acetate
CAS Registry Number 80239-47-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H56O4
InChI InChI=1S/C34H56O4/c1-23(10-9-18-32(3,4)38-31-11-7-8-21-36-31)28-14-15-29-27-13-12-25-22-26(37-24(2)35)16-19-33(25,5)30(27)17-20-34(28,29)6/h12,23,26-31H,7-11,13-22H2,1-6H3/t23-,26+,27?,28-,29?,30?,31?,33+,34-/m1/s1
InChIKey UGQUXVJCQOGZBU-IJHFEAJCSA-N
Molecular Weight 528.818 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CC[C@@]1([C@@](CCCC(OC1OCCCC1)(C)C)(C)[H])[H])C
SPLASH splash10-0a4i-9035000000-d9713c13ff8e9179cdee
Source of Spectrum H-64-1880-0
Wiley ID 1403147