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Euphornin
SpectraBase Compound ID Iq1vBTmML1T
InChI InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(39-22(4)34)17-27(42-31(37)25-12-10-9-11-13-25)20(2)16-26-29(40-23(5)35)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14+,20-16+
InChIKey CYUGDEJFKYMROH-ORZQUIQWSA-N
Mol Weight 584.7 g/mol
Molecular Formula C33H44O9
Exact Mass 584.298533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IjeA2cKZ2t
Name Euphornin
CAS Registry Number 80454-47-3
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H44O9
InChI InChI=1S/C33H44O9/c1-19-14-15-32(7,8)28(39-22(4)34)17-27(42-31(37)25-12-10-9-11-13-25)20(2)16-26-29(40-23(5)35)21(3)18-33(26,38)30(19)41-24(6)36/h9-16,19,21,26-30,38H,17-18H2,1-8H3/b15-14+,20-16+
InChIKey CYUGDEJFKYMROH-ORZQUIQWSA-N
Molecular Weight 584.706 g/mol
SMILES OC12C(C(\C=C\C(C(CC(\C(=C\C2C(C(C1)C)OC(=O)C)C)OC(=O)c1ccccc1)OC(=O)C)(C)C)C)OC(=O)C
SPLASH splash10-0a6r-0001390000-dc2c50e92a009034535c
Source of Spectrum W5-1989-12402-1
Synonyms 3,8,13-Tris(acetyloxy)-13a-hydroxy-2,5,9,9,12-pentamethyl-2,3,3a,6,7,8,9,12,13,13a-decahydro-1H-cyclopenta[a]cyclododecen-6-yl benzoate
Wiley ID 1408859