| SpectraBase Compound ID | J9AEpUmgDO4 |
|---|---|
| InChI | InChI=1S/C114H134N12O15/c1-25-73-56(8)84-48-100-111(64(16)88(123-100)45-81-58(10)75(33-39-105(129)135-27-3)93(117-81)53-96-77(35-41-107(131)137-29-5)60(12)83(119-96)47-92(73)115-84)69(21)140-72(24)114-67(19)91-52-103-112(65(17)89(124-103)46-82-59(11)76(34-40-106(130)136-28-4)95(118-82)55-98-79(37-43-109(133)139-31-7)62(14)86(121-98)50-102(114)126-91)70(22)141-71(23)113-66(18)90-51-99-110(68(20)127)63(15)87(122-99)44-80-57(9)74(32-38-104(128)134-26-2)94(116-80)54-97-78(36-42-108(132)138-30-6)61(13)85(120-97)49-101(113)125-90/h44-55,68-72,115-118,125-127H,25-43H2,1-24H3/b80-44-,81-45-,82-46-,83-47-,84-48-,85-49-,86-50-,87-44-,88-45-,89-46-,90-51-,91-52-,92-47-,93-53-,94-54-,95-55-,96-53-,97-54-,98-55-,99-51-,100-48-,101-49-,102-50-,103-52- |
| InChIKey | FJRLLBPKWBNLCD-LZCXYPGDSA-N |
| Mol Weight | 1912.4 g/mol |
| Molecular Formula | C114H134N12O15 |
| Exact Mass | 1911.009162 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4Cef2vF8B05 |
|---|---|
| Name | compound42 |
| Alternate Name(s) | Ethyl 3-[14-(1-{1-[9-(1-{1-[15,19-bis(3-ethoxy-3-oxopropyl)-9-(1-hydroxyethyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]ethoxy}ethyl)-15,19-bis(3-ethoxy-3-oxopropyl)-5,10,14,20-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]ethoxy}ethyl)-20-(3-ethoxy-3-oxopropyl)-9-ethyl-5,10,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-4-yl]propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C114H134N12O15 |
| InChI | InChI=1S/C114H134N12O15/c1-25-73-56(8)84-48-100-111(64(16)88(123-100)45-81-58(10)75(33-39-105(129)135-27-3)93(117-81)53-96-77(35-41-107(131)137-29-5)60(12)83(119-96)47-92(73)115-84)69(21)140-72(24)114-67(19)91-52-103-112(65(17)89(124-103)46-82-59(11)76(34-40-106(130)136-28-4)95(118-82)55-98-79(37-43-109(133)139-31-7)62(14)86(121-98)50-102(114)126-91)70(22)141-71(23)113-66(18)90-51-99-110(68(20)127)63(15)87(122-99)44-80-57(9)74(32-38-104(128)134-26-2)94(116-80)54-97-78(36-42-108(132)138-30-6)61(13)85(120-97)49-101(113)125-90/h44-55,68-72,115-118,125-127H,25-43H2,1-24H3/b80-44-,81-45-,82-46-,83-47-,84-48-,85-49-,86-50-,87-44-,88-45-,89-46-,90-51-,91-52-,92-47-,93-53-,94-54-,95-55-,96-53-,97-54-,98-55-,99-51-,100-48-,101-49-,102-50-,103-52- |
| InChIKey | FJRLLBPKWBNLCD-LZCXYPGDSA-N |
| Molecular Weight | 1912.395 g/mol |
| SMILES | [nH]1c2cc3nc(c(C(OC(c4c(c5cc6c(C(OC(c7c(c8cc9c(C(O)C)c(c(cc%10c(c(c(cc%11nc(cc7[nH]8)c(c%11CCC(=O)OCC)C)[nH]%10)CCC(=O)OCC)C)n9)C)C)C)C)c(c(cc7c(c(c(cc8nc(cc4[nH]5)c(c8CCC(=O)OCC)C)[nH]7)CCC(=O)OCC)C)n6)C)C)C)C)c3C)cc3c(c(c(cc4nc(cc1c(c2C)CCC(=O)OCC)c(c4C)CCC(=O)OCC)[nH]3)CC)C |
| SPLASH | splash10-000l-0010083090-5ed964acceff60fc1bbf |
| Source of Spectrum | B-44-411-0 |
| Wiley ID | 1418890 |