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3,4,10a(1H)-Phenanthrenetriol, 2-ethenyldodecahydro-2,4b,8,8-tetramethyl-, 3-acetate, [2S-(2.alpha.,3.beta.,4.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-
SpectraBase Compound ID 4DXYOGTcuvJ
InChI InChI=1S/C22H36O4/c1-7-20(5)13-22(25)12-9-15-19(3,4)10-8-11-21(15,6)17(22)16(24)18(20)26-14(2)23/h7,15-18,24-25H,1,8-13H2,2-6H3
InChIKey ZLXFAFSVJZYPKA-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlYujMYVaCS
Name 3,4,10a(1H)-Phenanthrenetriol, 2-ethenyldodecahydro-2,4b,8,8-tetramethyl-, 3-acetate, [2S-(2.alpha.,3.beta.,4.alpha.,4a.alpha.,4b.beta.,8a.alpha.,10a.beta.)]-
CAS Registry Number 41756-15-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-7-20(5)13-22(25)12-9-15-19(3,4)10-8-11-21(15,6)17(22)16(24)18(20)26-14(2)23/h7,15-18,24-25H,1,8-13H2,2-6H3
InChIKey ZLXFAFSVJZYPKA-UHFFFAOYSA-N
Molecular Weight 364.526 g/mol
SMILES OC12CCC3C(C1C(C(C(C2)(C=C)C)OC(C)=O)O)(C)CCCC3(C)C
SPLASH splash10-052f-9731000000-66cc69d0909436bd382d
Source of Spectrum EP-2896-0-0
Synonyms 8,11-Dihydroxypimar-15-en-12-yl acetate (2-ethenyl-4,10a-dihydroxy-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-3-yl) acetate (4,10a-dihydroxy-2,4b,8,8-tetramethyl-2-vinyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-3-yl) acetate Acetic acid (2-ethenyl-4,10a-dihydroxy-2,4b,8,8-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-3-yl) ester Acetic acid (4,10a-dihydroxy-2,4b,8,8-tetramethyl-2-vinyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-3-yl) ester
Wiley ID 1351009