| SpectraBase Compound ID | EzRKxxb1eR1 |
|---|---|
| InChI | InChI=1S/C45H72ClN7O14/c1-12-19(3)34-42(64)47-17-32(59)48-24(8)35(43(65)53-37(45(67)51-34)28-15-30(57)22(6)40(62)33(28)46)52-41(63)25(9)49-44(66)36(26(10)54)50-31(58)16-29(56)20(4)13-18(2)14-21(5)38(60)23(7)39(61)27(11)55/h15,18-21,23-27,34-39,54-55,57,60-62H,12-14,16-17H2,1-11H3,(H,47,64)(H,48,59)(H,49,66)(H,50,58)(H,51,67)(H,52,63)(H,53,65)/t18?,19-,20?,21-,23-,24+,25?,26+,27+,34-,35-,36+,37+,38+,39-/m0/s1 |
| InChIKey | LACOKYPQGAPLII-QHEKKRSJSA-N |
| Mol Weight | 970.6 g/mol |
| Molecular Formula | C45H72ClN7O14 |
| Exact Mass | 969.482578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9k7PioUjhEC |
|---|---|
| Name | TOTOPOTENSAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H72ClN7O14 |
| InChI | InChI=1S/C45H72ClN7O14/c1-12-19(3)34-42(64)47-17-32(59)48-24(8)35(43(65)53-37(45(67)51-34)28-15-30(57)22(6)40(62)33(28)46)52-41(63)25(9)49-44(66)36(26(10)54)50-31(58)16-29(56)20(4)13-18(2)14-21(5)38(60)23(7)39(61)27(11)55/h15,18-21,23-27,34-39,54-55,57,60-62H,12-14,16-17H2,1-11H3,(H,47,64)(H,48,59)(H,49,66)(H,50,58)(H,51,67)(H,52,63)(H,53,65)/t18?,19-,20?,21-,23-,24+,25?,26+,27+,34-,35-,36+,37+,38+,39-/m0/s1 |
| InChIKey | LACOKYPQGAPLII-QHEKKRSJSA-N |
| Literature Reference Author | Z.LIN,M.FLORES,I.FORTEZA,N.M.HENRIKSEN,G.P.CONCEPCION,G.ROSE NBERG,M.G.HAYGOOD,B. |
| Literature Reference Citation | J.NAT.PROD.,75,644(2012) |
| Literature Reference DOI | 10.1021/np200886x |
| Molecular Weight | 970.558 g/mol |
| Sample ID | 40262 |
| Solvent | DMSO-D6 |