| SpectraBase Compound ID | HKh2VjJhHta |
|---|---|
| InChI | InChI=1S/C89H148N22O24/c1-25-47(7)64(74(127)98-55(35-38-61(91)116)69(122)97-54(34-37-60(90)115)68(121)96-53(43-112)42-52-31-28-27-29-32-52)103-78(131)84(14,15)108-75(128)63(46(5)6)102-73(126)59-33-30-40-111(59)82(135)88(22,23)107-72(125)57(41-45(3)4)99-70(123)58(44-113)100-66(119)49(9)95-77(130)85(16,17)109-79(132)86(18,19)106-71(124)56(36-39-62(92)117)101-81(134)89(24,26-2)110-80(133)87(20,21)105-67(120)50(10)93-65(118)48(8)94-76(129)83(12,13)104-51(11)114/h27-29,31-32,45-50,53-59,63-64,112-113H,25-26,30,33-44H2,1-24H3,(H2,90,115)(H2,91,116)(H2,92,117)(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)/t47-,48-,49-,50-,53-,54-,55-,56-,57-,58-,59+,63-,64-,89?/m0/s1 |
| InChIKey | WNNDHCKVEJVDRS-MQELBDTPSA-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 | B2ZYoCOTtQd |
|---|---|
| Name | TRICHORZIANINE-1909A;TA-1909A |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C89H148N22O24 |
| InChI | InChI=1S/C89H148N22O24/c1-25-47(7)64(74(127)98-55(35-38-61(91)116)69(122)97-54(34-37-60(90)115)68(121)96-53(43-112)42-52-31-28-27-29-32-52)103-78(131)84(14,15)108-75(128)63(46(5)6)102-73(126)59-33-30-40-111(59)82(135)88(22,23)107-72(125)57(41-45(3)4)99-70(123)58(44-113)100-66(119)49(9)95-77(130)85(16,17)109-79(132)86(18,19)106-71(124)56(36-39-62(92)117)101-81(134)89(24,26-2)110-80(133)87(20,21)105-67(120)50(10)93-65(118)48(8)94-76(129)83(12,13)104-51(11)114/h27-29,31-32,45-50,53-59,63-64,112-113H,25-26,30,33-44H2,1-24H3,(H2,90,115)(H2,91,116)(H2,92,117)(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)/t47-,48-,49-,50-,53-,54-,55-,56-,57-,58-,59+,63-,64-,89?/m0/s1 |
| InChIKey | WNNDHCKVEJVDRS-MQELBDTPSA-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 | UWBT6694 |