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Cholest-7-en-6-one, 14,25-dihydroxy-2,3:20,22-bis[(1-methylethylidene)bis(oxy)]-, (2.alpha.,3.beta.,5.beta.,22R)-
SpectraBase Compound ID E23sXHtIWOj
InChI InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23-,24-,25-,26+,30+,31+,32+,33?/m0/s1
InChIKey WXFMGCVRGSIXOB-DANWMFLOSA-N
Mol Weight 560.8 g/mol
Molecular Formula C33H52O7
Exact Mass 560.371304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLkqJ03pDt2
Name Cholest-7-en-6-one, 14,25-dihydroxy-2,3:20,22-bis[(1-methylethylidene)bis(oxy)]-, (2.alpha.,3.beta.,5.beta.,22R)-
Alternate Name(s) (1S,5aR,6aS,9aS,10aR,10bR,12aR)-3a-hydroxy-1-[(4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl]-8,8,10a,12a-tetramethyl-1,2,3,3a,5a,6,6a,9a,10,10a,10b,11,12,12a-tetradecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one 5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxole, cholest-7-en-6-one deriv. Paristerone-2,3,20,22-diacetonide
CAS Registry Number 84507-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H52O7
InChI InChI=1S/C33H52O7/c1-27(2,35)13-12-26-32(9,40-29(5,6)39-26)25-11-15-33(36)20-16-22(34)21-17-23-24(38-28(3,4)37-23)18-30(21,7)19(20)10-14-31(25,33)8/h16,19,21,23-26,35-36H,10-15,17-18H2,1-9H3/t19-,21-,23-,24-,25-,26+,30+,31+,32+,33?/m0/s1
InChIKey WXFMGCVRGSIXOB-DANWMFLOSA-N
Molecular Weight 560.772 g/mol
SMILES OC(CC[C@]1(OC(O[C@@]1([C@@]1([C@]2(CC[C@]3(C(C2(CC1)O)=CC([C@@]1(C[C@@]2(OC(O[C@]2(C[C@]31C)[H])(C)C)[H])[H])=O)[H])C)[H])C)(C)C)[H])(C)C
SPLASH splash10-0zfs-6109000000-42270a3276536d51dbf7
Source of Spectrum F-38-2194-0
Wiley ID 1406780