| SpectraBase Compound ID | HVFHMwTmkZA |
|---|---|
| InChI | InChI=1S/C88H146N22O24/c1-25-46(6)63(73(126)97-54(34-37-60(90)115)68(121)96-53(33-36-59(89)114)67(120)95-52(42-111)41-51-30-27-26-28-31-51)102-78(131)83(13,14)107-74(127)62(45(4)5)101-72(125)58-32-29-39-110(58)81(134)88(23,24)106-71(124)56(40-44(2)3)98-69(122)57(43-112)99-65(118)48(8)94-76(129)84(15,16)108-80(133)87(21,22)105-70(123)55(35-38-61(91)116)100-77(130)85(17,18)109-79(132)86(19,20)104-66(119)49(9)92-64(117)47(7)93-75(128)82(11,12)103-50(10)113/h26-28,30-31,44-49,52-58,62-63,111-112H,25,29,32-43H2,1-24H3,(H2,89,114)(H2,90,115)(H2,91,116)(H,92,117)(H,93,128)(H,94,129)(H,95,120)(H,96,121)(H,97,126)(H,98,122)(H,99,118)(H,100,130)(H,101,125)(H,102,131)(H,103,113)(H,104,119)(H,105,123)(H,106,124)(H,107,127)(H,108,133)(H,109,132)/t46-,47+,48+,49+,52+,53+,54+,55+,56+,57+,58-,62+,63+/m1/s1 |
| InChIKey | YRZDPFZHGBYPTN-FUXYPLSHSA-N |
| Mol Weight | 1896.3 g/mol |
| Molecular Formula | C88H146N22O24 |
| Exact Mass | 1895.088034 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Exi7OIb7SOy |
|---|---|
| Name | TRICHORZIANINE-1895;TA-1895 |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C88H146N22O24 |
| InChI | InChI=1S/C88H146N22O24/c1-25-46(6)63(73(126)97-54(34-37-60(90)115)68(121)96-53(33-36-59(89)114)67(120)95-52(42-111)41-51-30-27-26-28-31-51)102-78(131)83(13,14)107-74(127)62(45(4)5)101-72(125)58-32-29-39-110(58)81(134)88(23,24)106-71(124)56(40-44(2)3)98-69(122)57(43-112)99-65(118)48(8)94-76(129)84(15,16)108-80(133)87(21,22)105-70(123)55(35-38-61(91)116)100-77(130)85(17,18)109-79(132)86(19,20)104-66(119)49(9)92-64(117)47(7)93-75(128)82(11,12)103-50(10)113/h26-28,30-31,44-49,52-58,62-63,111-112H,25,29,32-43H2,1-24H3,(H2,89,114)(H2,90,115)(H2,91,116)(H,92,117)(H,93,128)(H,94,129)(H,95,120)(H,96,121)(H,97,126)(H,98,122)(H,99,118)(H,100,130)(H,101,125)(H,102,131)(H,103,113)(H,104,119)(H,105,123)(H,106,124)(H,107,127)(H,108,133)(H,109,132)/t46-,47+,48+,49+,52+,53+,54+,55+,56+,57+,58-,62+,63+/m1/s1 |
| InChIKey | YRZDPFZHGBYPTN-FUXYPLSHSA-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 | 1896.260 g/mol |
| Source File Reference | UWBT6689 |