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4,5-Phenanthrenediol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4R-(4.alpha.,4a.alpha.,4b.beta.,5.beta.,7.beta.,10a.beta.)]-
SpectraBase Compound ID 1lsqL8Fl2FI
InChI InChI=1S/C20H32O2/c1-6-19(4)11-13-7-8-15-18(2,3)10-9-16(22)20(15,5)17(13)14(21)12-19/h6,11,14-17,21-22H,1,7-10,12H2,2-5H3/t14-,15+,16-,17-,19+,20-/m1/s1
InChIKey XSFKYBKBHXNLJA-GHSJJHLASA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuexDeZNcEe
Name 4,5-Phenanthrenediol, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4R-(4.alpha.,4a.alpha.,4b.beta.,5.beta.,7.beta.,10a.beta.)]-
CAS Registry Number 66656-06-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-6-19(4)11-13-7-8-15-18(2,3)10-9-16(22)20(15,5)17(13)14(21)12-19/h6,11,14-17,21-22H,1,7-10,12H2,2-5H3/t14-,15+,16-,17-,19+,20-/m1/s1
InChIKey XSFKYBKBHXNLJA-GHSJJHLASA-N
Molecular Weight 304.474 g/mol
SMILES O[C@@]1(C[C@](C=C2[C@]1([C@]1([C@@](CCC([C@@]1(CC2)[H])(C)C)(O)[H])C)[H])(C=C)C)[H]
SPLASH splash10-0079-0090000000-3b3698e0ce11c282f327
Source of Spectrum K-111-851-0
Synonyms (1beta,11alpha)-pimara-8(14),15-diene-1,11-diol 1.beta.,11.alpha.-dihydroxysandaracopimar-8(14),15-diene (4R,4aS,4bS,5R,7S,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-4,5-diol
Wiley ID 1306853