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(4R,6R)-2-(Hydroxymethyl)-5-[1'-methyl-5'-oxohexa-1',3'-dienyl]-4,6-diacetoxy-cyclohex-2-en-1-one
SpectraBase Compound ID 5TnhhKAhwGI
InChI InChI=1S/C18H22O7/c1-10(6-5-7-11(2)20)16-15(24-12(3)21)8-14(9-19)17(23)18(16)25-13(4)22/h5-8,15-16,18-19H,9H2,1-4H3/b7-5+,10-6+/t15-,16?,18-/m1/s1
InChIKey SVSTYUOYKXTMDP-RWGHFGSWSA-N
Mol Weight 350.37 g/mol
Molecular Formula C18H22O7
Exact Mass 350.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9ZX9gMJSLp
Name (4R,6R)-2-(Hydroxymethyl)-5-[1'-methyl-5'-oxohexa-1',3'-dienyl]-4,6-diacetoxy-cyclohex-2-en-1-one
Alternate Name(s) (1R,5R)-5-(acetyloxy)-3-(hydroxymethyl)-6-[(1E,3E)-1-methyl-5-oxo-1,3-hexadienyl]-2-oxo-3-cyclohexen-1-yl acetate 2-(Hydroxymethyl)-5-[1'-methyl-5'-oxohexa-1',3'-dienyl]-4,6-diacetoxy-cyclohex-2-en-1-one Botocudorol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O7
InChI InChI=1S/C18H22O7/c1-10(6-5-7-11(2)20)16-15(24-12(3)21)8-14(9-19)17(23)18(16)25-13(4)22/h5-8,15-16,18-19H,9H2,1-4H3/b7-5+,10-6+/t15-,16?,18-/m1/s1
InChIKey SVSTYUOYKXTMDP-RWGHFGSWSA-N
Molecular Weight 350.367 g/mol
SMILES OCC=1C([C@@](C([C@@](C1)(OC(=O)C)[H])\C(=C\C=C\C(=O)C)C)(OC(=O)C)[H])=O
SPLASH splash10-0a4l-6920000000-c2d19a9e696fef4f5889
Source of Spectrum D9-2-72-3
Wiley ID 1546177