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7,8,10,11,13,141,6,17,19,20,1a,4a-dodecahydro-1,4-methano-6,9,12,15,18,21-hexaoxacyclo-octadeca[b]naphthalene-5,22-quinone

View entire compound with spectra: 1 MS (GC)

7,8,10,11,13,141,6,17,19,20,1a,4a-dodecahydro-1,4-methano-6,9,12,15,18,21-hexaoxacyclo-octadeca[b]naphthalene-5,22-quinone
SpectraBase Compound ID FVbNKjr2Prz
InChI InChI=1S/C21H28O8/c22-18-16-14-1-2-15(13-14)17(16)19(23)21-20(18)28-11-9-26-7-5-24-3-4-25-6-8-27-10-12-29-21/h1-2,14-17H,3-13H2
InChIKey CGRCFFOZAJCNNV-UHFFFAOYSA-N
Mol Weight 408.45 g/mol
Molecular Formula C21H28O8
Exact Mass 408.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Iz7Q2EIv0c
Name 7,8,10,11,13,141,6,17,19,20,1a,4a-dodecahydro-1,4-methano-6,9,12,15,18,21-hexaoxacyclo-octadeca[b]naphthalene-5,22-quinone
Alternate Name(s) 5,8,11,14,17,20-hexaoxatetracyclo[22.2.1.0(2,23).0(4,21)]heptacosa-4(21),25-diene-3,22-dione
CAS Registry Number 117357-94-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O8
InChI InChI=1S/C21H28O8/c22-18-16-14-1-2-15(13-14)17(16)19(23)21-20(18)28-11-9-26-7-5-24-3-4-25-6-8-27-10-12-29-21/h1-2,14-17H,3-13H2
InChIKey CGRCFFOZAJCNNV-UHFFFAOYSA-N
Molecular Weight 408.447 g/mol
SMILES C12=C(C(=O)C3C(C2=O)C2C=CC3C2)OCCOCCOCCOCCOCCO1
SPLASH splash10-014i-9100000000-ed5ba35c96bdab8fe010
Source of Spectrum KC-1988-517-12
Wiley ID 1372874