| SpectraBase Compound ID | A7DLmp76QYe |
|---|---|
| InChI | InChI=1S/C91H151N21O25/c1-27-49(7)65(74(127)98-56(38-41-63(118)137-26)69(122)97-55(36-39-61(92)116)68(121)96-54(45-113)44-53-33-30-29-31-34-53)103-78(131)85(13,14)108-75(128)64(48(5)6)102-73(126)60-35-32-42-112(60)83(136)90(23,24)107-72(125)58(43-47(3)4)99-70(123)59(46-114)101-77(130)86(15,16)109-80(133)89(21,22)110-79(132)87(17,18)106-71(124)57(37-40-62(93)117)100-82(135)91(25,28-2)111-81(134)88(19,20)105-67(120)51(9)94-66(119)50(8)95-76(129)84(11,12)104-52(10)115/h29-31,33-34,47-51,54-60,64-65,113-114H,27-28,32,35-46H2,1-26H3,(H2,92,116)(H2,93,117)(H,94,119)(H,95,129)(H,96,121)(H,97,122)(H,98,127)(H,99,123)(H,100,135)(H,101,130)(H,102,126)(H,103,131)(H,104,115)(H,105,120)(H,106,124)(H,107,125)(H,108,128)(H,109,133)(H,110,132)(H,111,134)/t49-,50+,51+,54+,55+,56+,57+,58+,59+,60-,64+,65+,91?/m1/s1 |
| InChIKey | MDDQUOMYZAFHLQ-HCAWPGPGSA-N |
| Mol Weight | 1939.3 g/mol |
| Molecular Formula | C91H151N21O25 |
| Exact Mass | 1938.118999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNh2yCS1VS5 |
|---|---|
| Name | TRICHORZIANINE-1924;TA-1924 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C91H151N21O25 |
| InChI | InChI=1S/C91H151N21O25/c1-27-49(7)65(74(127)98-56(38-41-63(118)137-26)69(122)97-55(36-39-61(92)116)68(121)96-54(45-113)44-53-33-30-29-31-34-53)103-78(131)85(13,14)108-75(128)64(48(5)6)102-73(126)60-35-32-42-112(60)83(136)90(23,24)107-72(125)58(43-47(3)4)99-70(123)59(46-114)101-77(130)86(15,16)109-80(133)89(21,22)110-79(132)87(17,18)106-71(124)57(37-40-62(93)117)100-82(135)91(25,28-2)111-81(134)88(19,20)105-67(120)51(9)94-66(119)50(8)95-76(129)84(11,12)104-52(10)115/h29-31,33-34,47-51,54-60,64-65,113-114H,27-28,32,35-46H2,1-26H3,(H2,92,116)(H2,93,117)(H,94,119)(H,95,129)(H,96,121)(H,97,122)(H,98,127)(H,99,123)(H,100,135)(H,101,130)(H,102,126)(H,103,131)(H,104,115)(H,105,120)(H,106,124)(H,107,125)(H,108,128)(H,109,133)(H,110,132)(H,111,134)/t49-,50+,51+,54+,55+,56+,57+,58+,59+,60-,64+,65+,91?/m1/s1 |
| InChIKey | MDDQUOMYZAFHLQ-HCAWPGPGSA-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 | 1939.326 g/mol |
| Source File Reference | UWBT6691 |