| SpectraBase Compound ID | 41sKJ3PoyX0 |
|---|---|
| InChI | InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35?,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1 |
| InChIKey | KYHUYMLIVQFXRI-XYUQHQMCSA-N |
| Mol Weight | 1112.4 g/mol |
| Molecular Formula | C57H89N7O15 |
| Exact Mass | 1111.641665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0XMpltxJMr |
|---|---|
| Name | DIDEMNIN_B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H89N7O15 |
| InChI | InChI=1S/C57H89N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-36,39-44,46-47,49,65-66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,35?,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1 |
| InChIKey | KYHUYMLIVQFXRI-XYUQHQMCSA-N |
| Literature Reference Author | M.TSUKIMOTO,M.NAGAOKA,Y.SHISHIDO,J.FUJIMOTO,F.NISHISAKA,S.MA TSUMOTO,E.HARUNARI,C |
| Literature Reference Citation | J.NAT.PROD.,74,2329(2011) |
| Literature Reference DOI | 10.1021/np200543z |
| Molecular Weight | 1112.372 g/mol |
| Sample ID | 39509 |
| Solvent | C5D5N |