| SpectraBase Compound ID | 9L3E8PLUe8W |
|---|---|
| InChI | InChI=1S/C89H148N22O24/c1-26-47(6)63(72(126)97-54(35-38-60(91)116)67(121)96-53(34-37-59(90)115)66(120)95-52(43-112)42-51-31-28-27-29-32-51)102-77(131)83(12,13)107-73(127)62(46(4)5)101-71(125)58-33-30-40-111(58)81(135)89(24,25)106-70(124)56(41-45(2)3)98-68(122)57(44-113)100-76(130)85(16,17)109-80(134)88(22,23)110-79(133)87(20,21)105-69(123)55(36-39-61(92)117)99-75(129)84(14,15)108-78(132)86(18,19)104-65(119)49(8)93-64(118)48(7)94-74(128)82(10,11)103-50(9)114/h27-29,31-32,45-49,52-58,62-63,112-113H,26,30,33-44H2,1-25H3,(H2,90,115)(H2,91,116)(H2,92,117)(H,93,118)(H,94,128)(H,95,120)(H,96,121)(H,97,126)(H,98,122)(H,99,129)(H,100,130)(H,101,125)(H,102,131)(H,103,114)(H,104,119)(H,105,123)(H,106,124)(H,107,127)(H,108,132)(H,109,134)(H,110,133)/t47-,48-,49-,52-,53-,54-,55-,56-,57-,58+,62-,63-/m0/s1 |
| InChIKey | FRFCZVBLXYTJAU-OMMGDAAFSA-N |
| Mol Weight | 1910.3 g/mol |
| Molecular Formula | C89H148N22O24 |
| Exact Mass | 1909.103684 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YwEwc7hJHB |
|---|---|
| Name | TRICHORZIANINE-VIB;TA-VIB |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C89H148N22O24 |
| InChI | InChI=1S/C89H148N22O24/c1-26-47(6)63(72(126)97-54(35-38-60(91)116)67(121)96-53(34-37-59(90)115)66(120)95-52(43-112)42-51-31-28-27-29-32-51)102-77(131)83(12,13)107-73(127)62(46(4)5)101-71(125)58-33-30-40-111(58)81(135)89(24,25)106-70(124)56(41-45(2)3)98-68(122)57(44-113)100-76(130)85(16,17)109-80(134)88(22,23)110-79(133)87(20,21)105-69(123)55(36-39-61(92)117)99-75(129)84(14,15)108-78(132)86(18,19)104-65(119)49(8)93-64(118)48(7)94-74(128)82(10,11)103-50(9)114/h27-29,31-32,45-49,52-58,62-63,112-113H,26,30,33-44H2,1-25H3,(H2,90,115)(H2,91,116)(H2,92,117)(H,93,118)(H,94,128)(H,95,120)(H,96,121)(H,97,126)(H,98,122)(H,99,129)(H,100,130)(H,101,125)(H,102,131)(H,103,114)(H,104,119)(H,105,123)(H,106,124)(H,107,127)(H,108,132)(H,109,134)(H,110,133)/t47-,48-,49-,52-,53-,54-,55-,56-,57-,58+,62-,63-/m0/s1 |
| InChIKey | FRFCZVBLXYTJAU-OMMGDAAFSA-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 | 1910.287 g/mol |
| Source File Reference | UWBT6695 |