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9-Angeloyloxy-10,11-epoxy-10,11-dihydrobrickelliol
SpectraBase Compound ID 1cihEEW2ymp
InChI InChI=1S/C20H30O4/c1-8-15(4)18(21)23-16(17-19(5,6)24-17)13-14(3)11-10-12-20(7,22)9-2/h8-12,16-17,22H,2,13H2,1,3-7H3/b12-10+,14-11+,15-8-
InChIKey AXUAMOWYJIVLCI-PNFVOVBOSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RjhgVq0SVt
Name 2-Butenoic acid, 2-methyl-, 1-(3,3-dimethyloxiranyl)-7-hydroxy-3,7-dimethyl-3,5,8-nonatrienyl ester
CAS Registry Number 59806-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-8-15(4)18(21)23-16(17-19(5,6)24-17)13-14(3)11-10-12-20(7,22)9-2/h8-12,16-17,22H,2,13H2,1,3-7H3/b12-10+,14-11+,15-8-
InChIKey AXUAMOWYJIVLCI-PNFVOVBOSA-N
Molecular Weight 334.456 g/mol
SMILES OC(\C=C\C=C\(CC(C1OC1(C)C)OC(\C(=C/C)C)=O)C)(C=C)C
SPLASH splash10-001i-9000000000-a3d51e45e4f746418b6d
Source of Spectrum K-110-1328-0
Synonyms (3E,5E)-1-(3,3-dimethyl-2-oxiranyl)-7-hydroxy-3,7-dimethyl-3,5,8-nonatrienyl (2Z)-2-methyl-2-butenoate Epi-9-angeloyloxy-10,11-epoxy-10,u1-dihydrobrickecliol
Wiley ID 1331102