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27-Norcholest-5-en-25-one, 23-(phenylsulfonyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, cyclic 1,2-ethanediyl acetal, (3.beta.,23R)-
SpectraBase Compound ID 6WjZpQTZupr
InChI InChI=1S/C39H58O6S/c1-27(24-31(26-39(4)43-22-23-44-39)46(40,41)30-10-6-5-7-11-30)33-15-16-34-32-14-13-28-25-29(45-36-12-8-9-21-42-36)17-19-37(28,2)35(32)18-20-38(33,34)3/h5-7,10-11,13,27,29,31-36H,8-9,12,14-26H2,1-4H3/t27-,29+,31?,32+,33-,34+,35+,36?,37+,38-/m1/s1
InChIKey ADHBJLZTDMMJNW-KYKIFQPISA-N
Mol Weight 654.9 g/mol
Molecular Formula C39H58O6S
Exact Mass 654.395411 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPFBeRxt58Q
Name 27-Norcholest-5-en-25-one, 23-(phenylsulfonyl)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, cyclic 1,2-ethanediyl acetal, (3.beta.,23R)-
Alternate Name(s) (23RS)-25,25-ethylendioxy-23-phenylsulfonyl-3.beta.-[(tetrahydropyran-2-yl)oxy]-27-nor-5-cholestene (3beta)-24-(2-methyl-1,3-dioxolan-2-yl)-23-(phenylsulfonyl)-3-(tetrahydro-2H-pyran-2-yloxy)chol-5-ene
CAS Registry Number 83872-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H58O6S
InChI InChI=1S/C39H58O6S/c1-27(24-31(26-39(4)43-22-23-44-39)46(40,41)30-10-6-5-7-11-30)33-15-16-34-32-14-13-28-25-29(45-36-12-8-9-21-42-36)17-19-37(28,2)35(32)18-20-38(33,34)3/h5-7,10-11,13,27,29,31-36H,8-9,12,14-26H2,1-4H3/t27-,29+,31?,32+,33-,34+,35+,36?,37+,38-/m1/s1
InChIKey ADHBJLZTDMMJNW-KYKIFQPISA-N
Molecular Weight 654.947 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(CC1(OCCO1)C)C[C@]([C@@]1([C@@]2([C@@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC2OCCCC2)(C4)[H])C)[H])([H])CC1)C)[H])(C)[H]
SPLASH splash10-000i-9000100000-9b849110d3050ec1744d
Source of Spectrum H-65-1511-0
Wiley ID 1413312