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ent-12-Spongien-16-one
SpectraBase Compound ID KvLaiMlEQPh
InChI InChI=1S/C20H30O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h6,14-16H,5,7-12H2,1-4H3/t14?,15?,16?,19-,20-/m1/s1
InChIKey DCFIJMVSAFTYKV-NUECQINNSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4JknoMspwN
Name ent-12-Spongien-16-one
CAS Registry Number 79254-01-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-18(2)9-5-10-20(4)15(18)8-11-19(3)14-12-22-17(21)13(14)6-7-16(19)20/h6,14-16H,5,7-12H2,1-4H3/t14?,15?,16?,19-,20-/m1/s1
InChIKey DCFIJMVSAFTYKV-NUECQINNSA-N
Molecular Weight 302.458 g/mol
SMILES [C@@]12(C([C@@]3(CCCC(C3CC2)(C)C)C)CC=C2C1COC2=O)C
SPLASH splash10-0006-0941000000-d7328f8631128f6bba41
Source of Spectrum J-46-4857-0
Synonyms (3bS,9aR)-3b,6,6,9a-tetramethyl-3a,3b,4,5,5a,6,7,8,9,9a,9b,10-dodecahydrophenanthro[1,2-c]furan-1(3H)-one
Wiley ID 1305126