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20-HYDROXYLUCIDENIC-ACID-F;(20-XI)-20-HYDROXY-3,7,11,15-TETRAOXO-25,26,27-TRISNORLANOST-8-EN-24-OIC-ACID
SpectraBase Compound ID H2spRn080YQ
InChI InChI=1S/C27H36O7/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5,34)10-8-20(32)33/h16-17,34H,7-13H2,1-6H3,(H,32,33)/t16-,17-,24-,25+,26?,27-/m0/s1
InChIKey RHUOPMPJXWNRKL-VFTKYELVSA-N
Mol Weight 472.6 g/mol
Molecular Formula C27H36O7
Exact Mass 472.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AZ2JkcKOLYX
Name (20.xi.)-20-hydroxy-3,7,11,15-tetraoxo-25,26,27-trisnorlanost-8-en-24-oic acid
Alternate Name(s) 20-Hydroxylucidenic acid F
Appearance Colorless needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O7
InChI InChI=1S/C27H36O7/c1-23(2)16-11-14(28)22-21(24(16,3)9-7-18(23)30)15(29)13-25(4)17(12-19(31)27(22,25)6)26(5,34)10-8-20(32)33/h16-17,34H,7-13H2,1-6H3,(H,32,33)/t16-,17-,24-,25+,26?,27-/m0/s1
InChIKey RHUOPMPJXWNRKL-VFTKYELVSA-N
Instrument Name JEOL JMS-BU20
Ionization Type EI
Literature Reference DOI 10.1021/np040230h
Molecular Weight 472.578 g/mol
Optical Rotation [a]D25 = +128.6 (c = 0.10, acetone)
Reported Formula C27H36O7
SMILES OC(CCC([C@]1(CC([C@]2(C3=C([C@]4(CCC(C([C@@]4(CC3=O)[H])(C)C)=O)C)C(C[C@]12C)=O)C)=O)[H])(C)O)=O
SPLASH splash10-0udi-0007900000-eb88a98053f3856a022b
Source of Spectrum G4-68-563-4
Wiley ID 1882010