| SpectraBase Compound ID | ECq3MpVyWh7 |
|---|---|
| InChI | InChI=1S/C50H80N8O12/c1-17-28(6)40-45(64)51-25-37(59)57(14)39(27(4)5)47(66)56(13)36(24-33-20-22-34(69-16)23-21-33)44(63)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(19-3)30(8)48(67)70-41(29(7)18-2)46(65)52-26-38(60)58(40)15/h20-23,27-32,35-36,39-41H,17-19,24-26H2,1-16H3,(H,51,64)(H,52,65)(H,53,63)(H,54,68)(H,55,62) |
| InChIKey | KDZUJZSBNBCYEK-UHFFFAOYSA-N |
| Mol Weight | 985.2 g/mol |
| Molecular Formula | C50H80N8O12 |
| Exact Mass | 984.58957 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4IhM0y4ju96 |
|---|---|
| Name | Majusculamide C |
| CAS Registry Number | 83712-17-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C50H80N8O12 |
| InChI | InChI=1S/C50H80N8O12/c1-17-28(6)40-45(64)51-25-37(59)57(14)39(27(4)5)47(66)56(13)36(24-33-20-22-34(69-16)23-21-33)44(63)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(19-3)30(8)48(67)70-41(29(7)18-2)46(65)52-26-38(60)58(40)15/h20-23,27-32,35-36,39-41H,17-19,24-26H2,1-16H3,(H,51,64)(H,52,65)(H,53,63)(H,54,68)(H,55,62) |
| InChIKey | KDZUJZSBNBCYEK-UHFFFAOYSA-N |
| Molecular Weight | 985.234 g/mol |
| SMILES | N1C(C(C(C(NC(C(NC(C(C)C(OC(C(NCC(N(C(C(NCC(N(C(C(N(C(C1=O)Cc1ccc(cc1)OC)C)=O)C(C)C)C)=O)=O)C(CC)C)C)=O)=O)C(CC)C)=O)CC)=O)C)=O)(C)C)=O)C |
| SPLASH | splash10-03dj-0924050000-d30d86240a2c71877540 |
| Source of Spectrum | J-49-240-0 |
| Synonyms | 2,8-Di(butan-2-yl)-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone 28-ethyl-14-isopropyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-2,8-disec-butyl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone 28-ethyl-14-isopropyl-7,13,16,20,22,22,25,29-octamethyl-17-p-anisyl-2,8-disec-butyl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-pentaquinone |
| Wiley ID | 1418353 |