For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Calycine
SpectraBase Compound ID D3eWs9w1flR
InChI InChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H/b16-14+
InChIKey CGRCGRBHNKRILW-JQIJEIRASA-N
Mol Weight 306.27 g/mol
Molecular Formula C18H10O5
Exact Mass 306.052823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1pObLGcwfRq
Name Calycine
CAS Registry Number 10091-92-6
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10O5
InChI InChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H/b16-14+
InChIKey CGRCGRBHNKRILW-JQIJEIRASA-N
Molecular Weight 306.273 g/mol
SMILES OC=1\C(=C/2C(=O)Oc3c2cccc3)OC(C1c1ccccc1)=O
SPLASH splash10-0bt9-4904000000-af5acbaf465722accbd0
Source of Spectrum T-67-3553-0
Synonyms (3E)-3-(3-Hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-1-benzofuran-2(3H)-one Calycin Oxypulvic acid lactone 3-(3-Hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)-2(3H)-benzofuranone 2(3H)-Benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)- 2(3H)-Benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)- (3E)-3-(5-hydroxy-3-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one 2(3H)-Benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)- (9CI) (3E)-3-(3-hydroxy-5-oxo-4-phenyl-2-furanylidene)-2-benzofuranone (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one (3E)-3-(3-hydroxy-5-oxo-4-phenyl-2-furylidene)benzofuran-2-one (3E)-3-(3-oxidanyl-5-oxidanylidene-4-phenyl-furan-2-ylidene)-1-benzofuran-2-one (3E)-3-(3-hydroxy-5-keto-4-phenyl-2-furylidene)coumaran-2-one
Wiley ID 1308163