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3,11-dihydroxypremutilin
SpectraBase Compound ID 6Xw8Hot81h5
InChI InChI=1S/C20H34O3/c1-6-18(4)11-15(22)19(5)12(2)7-9-20(13(3)17(18)23)10-8-14(21)16(19)20/h6,12-17,21-23H,1,7-11H2,2-5H3/t12?,13-,14+,15+,16-,17-,18+,19-,20-/m0/s1
InChIKey WALWABZSEBVASH-DZPLYYOVSA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cJi8YMjoXa
Name 3,11-dihydroxypremutilin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-6-18(4)11-15(22)19(5)12(2)7-9-20(13(3)17(18)23)10-8-14(21)16(19)20/h6,12-17,21-23H,1,7-11H2,2-5H3/t12?,13-,14+,15+,16-,17-,18+,19-,20-/m0/s1
InChIKey WALWABZSEBVASH-DZPLYYOVSA-N
Literature Reference DOI 10.1002/cbic.201700434
Molecular Weight 322.489 g/mol
SMILES O[C@]1([C@]2([C@]3(C(CC[C@@]2([C@]([C@@]([C@@](C[C@]3(O)[H])(C=C)C)(O)[H])(C)[H])CC1)C)C)[H])[H]
SPLASH splash10-0002-3900000000-b43639e00db48187340b
Source of Spectrum CBC-18-SM7-5
Synonyms (1R,3aS,4R,5S,6S,8R,9R,9aR)-4,6,9,10-tetramethyl-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulene-1,5,8-triol
Wiley ID 1819369