| SpectraBase Compound ID | 9SJZ4kyhTS4 |
|---|---|
| InChI | InChI=1S/C90H150N22O24/c1-26-48(6)64(74(128)98-55(35-38-62(92)117)68(122)97-54(34-37-61(91)116)67(121)96-53(44-113)43-52-31-28-27-29-32-52)103-78(132)84(12,13)107-71(125)58(42-47(4)5)100-73(127)60-33-30-40-112(60)82(136)90(24,25)108-72(126)57(41-46(2)3)99-69(123)59(45-114)102-77(131)86(16,17)110-81(135)89(22,23)111-80(134)88(20,21)106-70(124)56(36-39-63(93)118)101-76(130)85(14,15)109-79(133)87(18,19)105-66(120)50(8)94-65(119)49(7)95-75(129)83(10,11)104-51(9)115/h27-29,31-32,46-50,53-60,64,113-114H,26,30,33-45H2,1-25H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,119)(H,95,129)(H,96,121)(H,97,122)(H,98,128)(H,99,123)(H,100,127)(H,101,130)(H,102,131)(H,103,132)(H,104,115)(H,105,120)(H,106,124)(H,107,125)(H,108,126)(H,109,133)(H,110,135)(H,111,134)/t48-,49+,50+,53+,54+,55+,56+,57+,58+,59+,60-,64+/m1/s1 |
| InChIKey | QSWYAMXAPHVHLX-YVLATLPPSA-N |
| Mol Weight | 1924.3 g/mol |
| Molecular Formula | C90H150N22O24 |
| Exact Mass | 1923.119334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaTUiq7Wu1A |
|---|---|
| Name | TRICHORZIANINE-VB;TA-VB |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H150N22O24 |
| InChI | InChI=1S/C90H150N22O24/c1-26-48(6)64(74(128)98-55(35-38-62(92)117)68(122)97-54(34-37-61(91)116)67(121)96-53(44-113)43-52-31-28-27-29-32-52)103-78(132)84(12,13)107-71(125)58(42-47(4)5)100-73(127)60-33-30-40-112(60)82(136)90(24,25)108-72(126)57(41-46(2)3)99-69(123)59(45-114)102-77(131)86(16,17)110-81(135)89(22,23)111-80(134)88(20,21)106-70(124)56(36-39-63(93)118)101-76(130)85(14,15)109-79(133)87(18,19)105-66(120)50(8)94-65(119)49(7)95-75(129)83(10,11)104-51(9)115/h27-29,31-32,46-50,53-60,64,113-114H,26,30,33-45H2,1-25H3,(H2,91,116)(H2,92,117)(H2,93,118)(H,94,119)(H,95,129)(H,96,121)(H,97,122)(H,98,128)(H,99,123)(H,100,127)(H,101,130)(H,102,131)(H,103,132)(H,104,115)(H,105,120)(H,106,124)(H,107,125)(H,108,126)(H,109,133)(H,110,135)(H,111,134)/t48-,49+,50+,53+,54+,55+,56+,57+,58+,59+,60-,64+/m1/s1 |
| InChIKey | QSWYAMXAPHVHLX-YVLATLPPSA-N |
| Literature Reference Author | I.PANIZEL,O.YARDEN,S.CARMELI |
| Literature Reference Citation | MAR.DRUGS,11,4937(2013) |
| Literature Reference DOI | 10.3390/md11124937 |
| Molecular Weight | 1924.314 g/mol |
| Source File Reference | UWBT6698 |