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Bruceanol E1
SpectraBase Compound ID JBqUTX3sqxj
InChI InChI=1S/C28H38O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h8,11,13-14,16,18-23,31-33H,7,9-10H2,1-6H3/b12-8+/t13-,14?,16?,18+,19+,20?,21?,22?,23-,26-,27+,28-/m0/s1
InChIKey SXRILXHNZYONKW-RIHVJPMFSA-N
Mol Weight 550.6 g/mol
Molecular Formula C28H38O11
Exact Mass 550.241412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NnJYf1NwUP
Name Bruceanol E1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O11
InChI InChI=1S/C28H38O11/c1-11(2)12(3)8-17(30)39-19-21-27-10-37-28(21,25(35)36-6)23(33)18(31)20(27)26(5)14(9-16(27)38-24(19)34)13(4)7-15(29)22(26)32/h8,11,13-14,16,18-23,31-33H,7,9-10H2,1-6H3/b12-8+/t13-,14?,16?,18+,19+,20?,21?,22?,23-,26-,27+,28-/m0/s1
InChIKey SXRILXHNZYONKW-RIHVJPMFSA-N
Molecular Weight 550.601 g/mol
SMILES O[C@]1([C@@](C2[C@]3(C(C(C[C@@](C3CC3[C@@]22C([C@@]1(OC2)C(=O)OC)[C@](C(O3)=O)(OC(\C=C\(C(C)C)C)=O)[H])(C)[H])=O)O)C)(O)[H])[H]
SPLASH splash10-03di-0900010000-4ddfba2e0560409eb634
Source of Spectrum X2-56-2096-8
Synonyms Bruceanol E2 Bruceanol E
Wiley ID 1605257