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Cholest-7-en-6-one, 2,3,14,25-tetrahydroxy-20,22-[(1-methylethylidene)bis(oxy)]-, (2.alpha.,3.beta.,5.beta.,22R)-
SpectraBase Compound ID EzitxrXnoos
InChI InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19-,21+,22+,23-,24+,27+,28+,29+,30?/m0/s1
InChIKey GXNNYSDWRVKVJY-OEULDIAKSA-N
Mol Weight 520.7 g/mol
Molecular Formula C30H48O7
Exact Mass 520.340004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8aShl29ltM0
Name Cholest-7-en-6-one, 2,3,14,25-tetrahydroxy-20,22-[(1-methylethylidene)bis(oxy)]-, (2.alpha.,3.beta.,5.beta.,22R)-
Alternate Name(s) (2alpha,3beta,5beta,17beta)-2,3,14-trihydroxy-17-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]androst-7-en-6-one Paristerone-20,22-monoacetonide
CAS Registry Number 84507-68-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O7
InChI InChI=1S/C30H48O7/c1-25(2,34)11-10-24-29(7,37-26(3,4)36-24)23-9-13-30(35)18-14-20(31)19-15-21(32)22(33)16-27(19,5)17(18)8-12-28(23,30)6/h14,17,19,21-24,32-35H,8-13,15-16H2,1-7H3/t17-,19-,21+,22+,23-,24+,27+,28+,29+,30?/m0/s1
InChIKey GXNNYSDWRVKVJY-OEULDIAKSA-N
Molecular Weight 520.707 g/mol
SMILES OC(CC[C@]1(OC(O[C@@]1([C@@]1([C@@]2(C(C3=CC([C@@]4(C[C@]([C@@](C[C@@]4([C@]3(CC2)[H])C)(O)[H])(O)[H])[H])=O)(CC1)O)C)[H])C)(C)C)[H])(C)C
SPLASH splash10-0btd-9104000000-6cb5caf4f11e41c20aa6
Source of Spectrum F-38-2194-0
Wiley ID 1401996