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11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1,6-dipentyl-
SpectraBase Compound ID LIrDs8ibPlm
InChI InChI=1S/C24H28O7/c1-3-5-7-9-14-11-15(25)12-18-20(14)24(29)31-19-13-17(26)21(23(27)28)16(22(19)30-18)10-8-6-4-2/h11-13,25-26H,3-10H2,1-2H3,(H,27,28)
InChIKey LRBGPGNQUCAQOQ-UHFFFAOYSA-N
Mol Weight 428.48 g/mol
Molecular Formula C24H28O7
Exact Mass 428.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sPcUEjl3bW
Name 11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 3,8-dihydroxy-11-oxo-1,6-dipentyl-
Alternate Name(s) 3,8-Dihydroxy-11-oxo-1,6-dipentyl-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid Norcolensoic acid 3,9-Dihydroxy-6-oxo-1,7-dipentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid 3,9-Dihydroxy-6-oxo-1,7-dipentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid 3,9-Dihydroxy-6-oxo-1,7-dipentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid 3,9-bis(oxidanyl)-6-oxidanylidene-1,7-dipentyl-benzo[b][1,4]benzodioxepine-2-carboxylic acid
CAS Registry Number 79579-61-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H28O7
InChI InChI=1S/C24H28O7/c1-3-5-7-9-14-11-15(25)12-18-20(14)24(29)31-19-13-17(26)21(23(27)28)16(22(19)30-18)10-8-6-4-2/h11-13,25-26H,3-10H2,1-2H3,(H,27,28)
InChIKey LRBGPGNQUCAQOQ-UHFFFAOYSA-N
Molecular Weight 428.481 g/mol
SMILES OC(c1c(cc2c(c1CCCCC)Oc1c(C(O2)=O)c(cc(c1)O)CCCCC)O)=O
SPLASH splash10-001l-3039000000-b75b4b545fe9f407beeb
Source of Spectrum B-34-1511-0
Wiley ID 1380724