Dimethyl (8Z)-3,3'-[7"-(dimethylcarbamoylmethyl)-8"-[4"'-(tetrahydropyran-2-yl)oxybutylid-1'''-ene)-2",7",12",18"-tetramethyl-7",8"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate

SpectraBase Compound ID	ILjfHpUO2RR
InChI	InChI=1S/C45H57N5O7/c1-27-21-30-22-40-45(4,26-41(51)50(5)6)33(13-9-11-19-56-44-14-10-12-20-57-44)39(49-40)24-36-29(3)32(16-18-43(53)55-8)38(48-36)25-37-31(15-17-42(52)54-7)28(2)35(47-37)23-34(27)46-30/h9,13,21-25,33,44,46,48H,10-12,14-20,26H2,1-8H3/b13-9-,30-22-,34-23-,35-23-,36-24-,37-25-,38-25-,39-24-,40-22-
InChIKey	ZMHURXHVTAPAPX-FIAZZVFJSA-N Google Search
Mol Weight	780.0 g/mol
Molecular Formula	C45H57N5O7
Exact Mass	779.425799 g/mol

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SpectraBase Spectrum ID	DQntnGwa0HB
Name	Dimethyl (8Z)-3,3'-[7"-(dimethylcarbamoylmethyl)-8"-[4"'-(tetrahydropyran-2-yl)oxybutylid-1'''-ene)-2",7",12",18"-tetramethyl-7",8"-dihydro-21H.23H-porphyrin-13",17"-diyl]-dipropionate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C45H57N5O7
InChI	InChI=1S/C45H57N5O7/c1-27-21-30-22-40-45(4,26-41(51)50(5)6)33(13-9-11-19-56-44-14-10-12-20-57-44)39(49-40)24-36-29(3)32(16-18-43(53)55-8)38(48-36)25-37-31(15-17-42(52)54-7)28(2)35(47-37)23-34(27)46-30/h9,13,21-25,33,44,46,48H,10-12,14-20,26H2,1-8H3/b13-9-,30-22-,34-23-,35-23-,36-24-,37-25-,38-25-,39-24-,40-22-
InChIKey	ZMHURXHVTAPAPX-FIAZZVFJSA-N
Molecular Weight	779.979 g/mol
SMILES	[nH]1c2c(cc1cc1nc(cc3[nH]c(cc4nc(c2)c(c4CCC(=O)OC)C)c(c3C)CCC(=O)OC)C(C1(CC(N(C)C)=O)C)\C=C/CCOC1OCCCC1)C
SPLASH	splash10-0a4i-0000009100-c1162507a65db9ed2ddb
Source of Spectrum	U-1995-1036-15
Wiley ID	767009