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8(14),isopimaradiene-2-.alpha.,3-.alpha.,19-triol
SpectraBase Compound ID 94KTYJFNjGB
InChI InChI=1S/C20H32O3/c1-5-18(2)9-8-14-13(10-18)6-7-16-19(14,3)11-15(22)17(23)20(16,4)12-21/h5,10,14-17,21-23H,1,6-9,11-12H2,2-4H3/t14-,15+,16+,17+,18-,19+,20+/m0/s1
InChIKey LZQXGLPPZQKUDB-BDBHOTGSSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcU1ewecwhb
Name 8(14),isopimaradiene-2-.alpha.,3-.alpha.,19-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-5-18(2)9-8-14-13(10-18)6-7-16-19(14,3)11-15(22)17(23)20(16,4)12-21/h5,10,14-17,21-23H,1,6-9,11-12H2,2-4H3/t14-,15+,16+,17+,18-,19+,20+/m0/s1
InChIKey LZQXGLPPZQKUDB-BDBHOTGSSA-N
Literature Reference DOI 10.1002/cjoc.20030210222
Molecular Weight 320.473 g/mol
SMILES O[C@]1([C@](CO)([C@]2([C@](C[C@]1(O)[H])([C@@]1(C(CC2)=C[C@](CC1)(C=C)C)[H])C)[H])C)[H]
SPLASH splash10-00dr-1951000000-dc5c98c21e3c9e78af04
Source of Spectrum CJC-21-202-1
Synonyms (1S,2S,3R,4aR,4bS,7R,10aR)-1-(hydroxymethyl)-1,4a,7-trimethyl-7-vinyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-2,3-diol
Wiley ID 1773707