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11.beta.-Angeloyloxy-.alpha.-sabtonin
SpectraBase Compound ID 15KSL5nNATD
InChI InChI=1S/C20H24O5/c1-6-11(2)17(22)25-20(5)13-7-9-19(4)10-8-14(21)12(3)15(19)16(13)24-18(20)23/h6,8,10,13,16H,7,9H2,1-5H3/b11-6+/t13-,16+,19+,20-/m1/s1
InChIKey SSCJYULVYLIUJD-QPYJZGEWSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELu7wPpLBz1
Name 11.beta.-Angeloyloxy-.alpha.-sabtonin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-6-11(2)17(22)25-20(5)13-7-9-19(4)10-8-14(21)12(3)15(19)16(13)24-18(20)23/h6,8,10,13,16H,7,9H2,1-5H3/b11-6+/t13-,16+,19+,20-/m1/s1
InChIKey SSCJYULVYLIUJD-QPYJZGEWSA-N
Molecular Weight 344.407 g/mol
SMILES [C@@]12(C3=C(C(=O)C=C[C@]3(C)CC[C@]2([C@](OC(\C(=C\C)C)=O)(C)C(O1)=O)[H])C)[H]
SPLASH splash10-053r-9000000000-4e36fe85034c0ed76330
Source of Spectrum F-50-5448-1
Synonyms (3R,3aR,5aS,9bS)-3,5a,9-trimethyl-2,8-dioxo-2,3,3a,4,5,5a,8,9b-octahydronaphtho[1,2-b]furan-3-yl (2E)-2-methyl-2-butenoate
Wiley ID 1338051