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1-Amyl-3,9-dihydroxy-7-valeryl-benzo[b][1,4]benzodioxepin-6-one
SpectraBase Compound ID GQIvJzJRI5w
InChI InChI=1S/C23H26O6/c1-3-5-7-8-14-10-15(24)13-20-22(14)28-19-12-16(25)11-17(18(26)9-6-4-2)21(19)23(27)29-20/h10-13,24-25H,3-9H2,1-2H3
InChIKey ZSMRNRJMUKTCNH-UHFFFAOYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C23H26O6
Exact Mass 398.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69dokTtM5TQ
Name 1-Amyl-3,9-dihydroxy-7-valeryl-benzo[b][1,4]benzodioxepin-6-one
Alternate Name(s) 3,8-Dihydroxy-1-pentanoyl-6-pentyl-11H-dibenzo[b,e][1,4]dioxepin-11-one 3,9-bis(oxidanyl)-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepin-6-one 3,9-Dihydroxy-7-(1-oxopentyl)-1-pentyl-6-benzo[b][1,4]benzodioxepinone 3,9-Dihydroxy-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepin-6-one Norlobaric acid, decarboxy- NSC 31867
CAS Registry Number 6320-33-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O6
InChI InChI=1S/C23H26O6/c1-3-5-7-8-14-10-15(24)13-20-22(14)28-19-12-16(25)11-17(18(26)9-6-4-2)21(19)23(27)29-20/h10-13,24-25H,3-9H2,1-2H3
InChIKey ZSMRNRJMUKTCNH-UHFFFAOYSA-N
Molecular Weight 398.455 g/mol
SMILES Oc1cc2OC(c3c(cc(cc3C(CCCC)=O)O)Oc2c(c1)CCCCC)=O
SPLASH splash10-006t-0019000000-a6d3d32bcdf9828e1968
Source of Spectrum B-32-929-0
Wiley ID 1368456