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3-(Acetoxymethylene)-6,7-dihydroxy-7,11-dimethyldodeca-10-oxo-1,6-trien-8-yne-1,14-diyl diacetate
SpectraBase Compound ID 9n07S1fh82F
InChI InChI=1S/C21H26O7/c1-14(2)20(25)9-7-15(3)8-10-21(28-18(6)24)19(13-27-17(5)23)11-12-26-16(4)22/h8,11-14,21H,10H2,1-6H3/b12-11+,15-8+,19-13-/t21-/m0/s1
InChIKey XSDSKPQAQDNQEY-JDULWRHYSA-N
Mol Weight 390.43 g/mol
Molecular Formula C21H26O7
Exact Mass 390.167853 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJWxpnqp2CS
Name 3-(Acetoxymethylene)-6,7-dihydroxy-7,11-dimethyldodeca-10-oxo-1,6-trien-8-yne-1,14-diyl diacetate
Alternate Name(s) (S)-3-(Acetoxymethylene)-6,7-dihydroxy-7,11-dimethyldodeca-10-oxo-1,6-trien-8-yne-1,14-diyl diacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O7
InChI InChI=1S/C21H26O7/c1-14(2)20(25)9-7-15(3)8-10-21(28-18(6)24)19(13-27-17(5)23)11-12-26-16(4)22/h8,11-14,21H,10H2,1-6H3/b12-11+,15-8+,19-13-/t21-/m0/s1
InChIKey XSDSKPQAQDNQEY-JDULWRHYSA-N
Molecular Weight 390.432 g/mol
SMILES C(#C\C(=C\C[C@@](\C(=C/OC(=O)C)\C=C\OC(=O)C)(OC(=O)C)[H])C)C(=O)C(C)C
SPLASH splash10-0006-9000000000-103d606ecb5a5d5fcda2
Source of Spectrum U1-1999-1989-15
Wiley ID 753251