| SpectraBase Compound ID | AFmouNLz4Dd |
|---|---|
| InChI | InChI=1S/C91H152N22O24/c1-26-49(7)65(75(129)99-56(36-39-63(93)118)69(123)98-55(35-38-62(92)117)68(122)97-54(45-114)44-53-32-29-28-30-33-53)104-78(132)85(13,14)108-72(126)59(43-48(5)6)101-74(128)61-34-31-41-113(61)83(137)90(23,24)109-73(127)58(42-47(3)4)100-70(124)60(46-115)103-77(131)86(15,16)110-80(134)89(21,22)111-79(133)87(17,18)107-71(125)57(37-40-64(94)119)102-82(136)91(25,27-2)112-81(135)88(19,20)106-67(121)51(9)95-66(120)50(8)96-76(130)84(11,12)105-52(10)116/h28-30,32-33,47-51,54-61,65,114-115H,26-27,31,34-46H2,1-25H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,95,120)(H,96,130)(H,97,122)(H,98,123)(H,99,129)(H,100,124)(H,101,128)(H,102,136)(H,103,131)(H,104,132)(H,105,116)(H,106,121)(H,107,125)(H,108,126)(H,109,127)(H,110,134)(H,111,133)(H,112,135)/t49-,50+,51+,54+,55+,56+,57+,58+,59+,60+,61-,65+,91?/m1/s1 |
| InChIKey | AAUFTYTXQBWYFE-RWXABGSNSA-N |
| Mol Weight | 1938.3 g/mol |
| Molecular Formula | C91H152N22O24 |
| Exact Mass | 1937.134984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBtFt8kFZuZ |
|---|---|
| Name | TRICHORZIANINE-VIA;TA-VIA |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C91H152N22O24 |
| InChI | InChI=1S/C91H152N22O24/c1-26-49(7)65(75(129)99-56(36-39-63(93)118)69(123)98-55(35-38-62(92)117)68(122)97-54(45-114)44-53-32-29-28-30-33-53)104-78(132)85(13,14)108-72(126)59(43-48(5)6)101-74(128)61-34-31-41-113(61)83(137)90(23,24)109-73(127)58(42-47(3)4)100-70(124)60(46-115)103-77(131)86(15,16)110-80(134)89(21,22)111-79(133)87(17,18)107-71(125)57(37-40-64(94)119)102-82(136)91(25,27-2)112-81(135)88(19,20)106-67(121)51(9)95-66(120)50(8)96-76(130)84(11,12)105-52(10)116/h28-30,32-33,47-51,54-61,65,114-115H,26-27,31,34-46H2,1-25H3,(H2,92,117)(H2,93,118)(H2,94,119)(H,95,120)(H,96,130)(H,97,122)(H,98,123)(H,99,129)(H,100,124)(H,101,128)(H,102,136)(H,103,131)(H,104,132)(H,105,116)(H,106,121)(H,107,125)(H,108,126)(H,109,127)(H,110,134)(H,111,133)(H,112,135)/t49-,50+,51+,54+,55+,56+,57+,58+,59+,60+,61-,65+,91?/m1/s1 |
| InChIKey | AAUFTYTXQBWYFE-RWXABGSNSA-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 | 1938.341 g/mol |
| Source File Reference | UWBT6696 |