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2-ALPHA,19-DIHYDROXY-SPONGIA-13(16),14-DIEN-3-ONE
SpectraBase Compound ID D493lJrkUyI
InChI InChI=1S/C20H28O4/c1-18-7-6-16-19(2,8-14(22)17(23)20(16,3)11-21)15(18)5-4-12-9-24-10-13(12)18/h9-10,14-16,21-22H,4-8,11H2,1-3H3/t14-,15?,16?,18+,19-,20-/m1/s1
InChIKey IABIEQUOUAZLEJ-CTKRNMLISA-N
Mol Weight 332.44 g/mol
Molecular Formula C20H28O4
Exact Mass 332.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ahV8r0bgKY
Name 3.alpha.,19-Dihydroxy-spongia-13(16),14-dien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O4
InChI InChI=1S/C20H28O4/c1-18-7-6-16-19(2,8-14(22)17(23)20(16,3)11-21)15(18)5-4-12-9-24-10-13(12)18/h9-10,14-16,21-22H,4-8,11H2,1-3H3/t14-,15?,16?,18+,19-,20-/m1/s1
InChIKey IABIEQUOUAZLEJ-CTKRNMLISA-N
Molecular Weight 332.440 g/mol
SMILES OC[C@]1(C([C@@](C[C@]2(C1CC[C@@]1(C2CCc2cocc12)C)C)(O)[H])=O)C
SPLASH splash10-000f-9254000000-5e409e53ef1d7f27b363
Source of Spectrum X2-51-297-10
Synonyms (3bR,6S,8R,9aR)-8-hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one (3bR,6S,8R,9aR)-8-hydroxy-6-(hydroxymethyl)-3b,6,9a-trimethyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e]isobenzofuran-7-one (3bR,6S,8R,9aR)-6-(hydroxymethyl)-3b,6,9a-trimethyl-8-oxidanyl-4,5,5a,8,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-one
Wiley ID 1602592