| SpectraBase Compound ID | 64cZbGdvZqp |
|---|---|
| InChI | InChI=1S/C39H63N7O20/c1-14(2)25(34(55)45-21(37(60)61)10-11-24(50)44-20(9-7-8-19(40)36(58)59)33(54)41-15(3)35(56)57)46-32(53)16(4)63-31-27(43-18(6)49)38-62-13-23(65-38)30(31)66-39-26(42-17(5)48)29(52)28(51)22(12-47)64-39/h14-16,19-23,25-31,38-39,47,51-52H,7-13,40H2,1-6H3,(H,41,54)(H,42,48)(H,43,49)(H,44,50)(H,45,55)(H,46,53)(H,56,57)(H,58,59)(H,60,61)/t15-,16-,19-,20+,21-,22+,23+,25-,26+,27-,28+,29+,30-,31-,38-,39-/m1/s1 |
| InChIKey | XDNIIFNXNXDUJI-GGYSCDGJSA-N |
| Mol Weight | 950.0 g/mol |
| Molecular Formula | C39H63N7O20 |
| Exact Mass | 949.412787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DLpbsG0Nkja |
|---|---|
| Name | CYMBIDINE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H63N7O20 |
| InChI | InChI=1S/C39H63N7O20/c1-14(2)25(34(55)45-21(37(60)61)10-11-24(50)44-20(9-7-8-19(40)36(58)59)33(54)41-15(3)35(56)57)46-32(53)16(4)63-31-27(43-18(6)49)38-62-13-23(65-38)30(31)66-39-26(42-17(5)48)29(52)28(51)22(12-47)64-39/h14-16,19-23,25-31,38-39,47,51-52H,7-13,40H2,1-6H3,(H,41,54)(H,42,48)(H,43,49)(H,44,50)(H,45,55)(H,46,53)(H,56,57)(H,58,59)(H,60,61)/t15-,16-,19-,20+,21-,22+,23+,25-,26+,27-,28+,29+,30-,31-,38-,39-/m1/s1 |
| InChIKey | XDNIIFNXNXDUJI-GGYSCDGJSA-N |
| Literature Reference Author | K.WATANABE,R.TANAKA,H.SAKURAI,K.IGUCHI,Y.YAMADA,C.S.HSU,C.SA KUMA,H.KIKUCHI,H.SHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,780(2007) |
| Literature Reference DOI | 10.1248/cpb.55.780 |
| Molecular Weight | 949.964 g/mol |
| Sample ID | 55972 |
| Solvent | H2O:D2O=9:1 |