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Gorgiacerodiol
SpectraBase Compound ID C9vMUO8xYZ
InChI InChI=1S/C21H24O7/c1-9(2)11-7-15-12(20(24)26-5)8-16(27-15)17(10(3)4)19-18(23)13(6-14(11)22)21(25)28-19/h6,8,11,14,17-19,22-23H,1,3,7H2,2,4-5H3/b13-6-/t11-,14?,17-,18+,19?/m0/s1
InChIKey SHUANEAZYOQKSV-IULXCLACSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID WRVN0Lvdc1
Name Gorgiacerodiol
Alternate Name(s) Methyl (2R,3S,8R,9S,15R)-8,15-dihydroxy-2,9-diisopropenyl-5-oxo-4,14-dioxatricyclo[9.2.1.1(3,6)]pentadeca-1(13),6,11-triene-12-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-9(2)11-7-15-12(20(24)26-5)8-16(27-15)17(10(3)4)19-18(23)13(6-14(11)22)21(25)28-19/h6,8,11,14,17-19,22-23H,1,3,7H2,2,4-5H3/b13-6-/t11-,14?,17-,18+,19?/m0/s1
InChIKey SHUANEAZYOQKSV-IULXCLACSA-N
Molecular Weight 388.416 g/mol
SMILES O[C@]1(C2[C@](c3oc(C[C@](C(\C=C\1C(O2)=O)O)(C(=C)C)[H])c(c3)C(=O)OC)(C(=C)C)[H])[H]
SPLASH splash10-0aov-0295000000-874171e5d90246d1d42f
Source of Spectrum F-47-8685-3
Wiley ID 1363795