| SpectraBase Compound ID | F7r9X5K7W0w |
|---|---|
| InChI | InChI=1S/C90H149N21O25/c1-26-48(7)65(75(127)98-56(37-40-63(117)136-25)70(122)97-55(35-38-61(91)115)69(121)96-54(44-112)43-53-32-29-28-30-33-53)103-79(131)85(14,15)108-76(128)64(47(5)6)102-74(126)60-34-31-41-111(60)83(135)89(22,23)107-73(125)58(42-46(3)4)99-71(123)59(45-113)100-67(119)50(9)95-78(130)86(16,17)109-80(132)87(18,19)106-72(124)57(36-39-62(92)116)101-82(134)90(24,27-2)110-81(133)88(20,21)105-68(120)51(10)93-66(118)49(8)94-77(129)84(12,13)104-52(11)114/h28-30,32-33,46-51,54-60,64-65,112-113H,26-27,31,34-45H2,1-25H3,(H2,91,115)(H2,92,116)(H,93,118)(H,94,129)(H,95,130)(H,96,121)(H,97,122)(H,98,127)(H,99,123)(H,100,119)(H,101,134)(H,102,126)(H,103,131)(H,104,114)(H,105,120)(H,106,124)(H,107,125)(H,108,128)(H,109,132)(H,110,133)/t48-,49+,50+,51+,54+,55+,56+,57+,58+,59+,60-,64+,65+,90?/m1/s1 |
| InChIKey | ZLBVBJAMPFXZTG-WLTWPBFQSA-N |
| Mol Weight | 1925.3 g/mol |
| Molecular Formula | C90H149N21O25 |
| Exact Mass | 1924.103349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XU5Vzd5kqL |
|---|---|
| Name | TRICHORZIANINE-1910;TA-1910 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H149N21O25 |
| InChI | InChI=1S/C90H149N21O25/c1-26-48(7)65(75(127)98-56(37-40-63(117)136-25)70(122)97-55(35-38-61(91)115)69(121)96-54(44-112)43-53-32-29-28-30-33-53)103-79(131)85(14,15)108-76(128)64(47(5)6)102-74(126)60-34-31-41-111(60)83(135)89(22,23)107-73(125)58(42-46(3)4)99-71(123)59(45-113)100-67(119)50(9)95-78(130)86(16,17)109-80(132)87(18,19)106-72(124)57(36-39-62(92)116)101-82(134)90(24,27-2)110-81(133)88(20,21)105-68(120)51(10)93-66(118)49(8)94-77(129)84(12,13)104-52(11)114/h28-30,32-33,46-51,54-60,64-65,112-113H,26-27,31,34-45H2,1-25H3,(H2,91,115)(H2,92,116)(H,93,118)(H,94,129)(H,95,130)(H,96,121)(H,97,122)(H,98,127)(H,99,123)(H,100,119)(H,101,134)(H,102,126)(H,103,131)(H,104,114)(H,105,120)(H,106,124)(H,107,125)(H,108,128)(H,109,132)(H,110,133)/t48-,49+,50+,51+,54+,55+,56+,57+,58+,59+,60-,64+,65+,90?/m1/s1 |
| InChIKey | ZLBVBJAMPFXZTG-WLTWPBFQSA-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 | 1925.299 g/mol |
| Source File Reference | UWBT6692 |