| SpectraBase Compound ID | 3fcRro3QopG |
|---|---|
| InChI | InChI=1S/C51H82ClN13O15/c1-9-29-43(72)59-31(22-35(53)67)45(74)56-27(6)42(71)63-40(28(7)66)51(80)64(8)34(24-37(55)69)50(79)65-21-17-19-33(65)47(76)62-39(26(5)18-15-13-11-12-14-16-20-52)41(70)49(78)61-38(25(3)4)48(77)58-30(10-2)44(73)60-32(23-36(54)68)46(75)57-29/h9-10,25-28,31-34,38-41,66,70H,11-24H2,1-8H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,56,74)(H,57,75)(H,58,77)(H,59,72)(H,60,73)(H,61,78)(H,62,76)(H,63,71)/b29-9+,30-10+/t26-,27+,28+,31-,32-,33-,34-,38-,39+,40-,41+/m0/s1 |
| InChIKey | BVPWTFZHTABZAH-IXKBYUEASA-N |
| Mol Weight | 1152.7 g/mol |
| Molecular Formula | C51H82ClN13O15 |
| Exact Mass | 1151.574187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FnT0yPZPQxn |
|---|---|
| Name | MINUTSSAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82ClN13O15 |
| InChI | InChI=1S/C51H82ClN13O15/c1-9-29-43(72)59-31(22-35(53)67)45(74)56-27(6)42(71)63-40(28(7)66)51(80)64(8)34(24-37(55)69)50(79)65-21-17-19-33(65)47(76)62-39(26(5)18-15-13-11-12-14-16-20-52)41(70)49(78)61-38(25(3)4)48(77)58-30(10-2)44(73)60-32(23-36(54)68)46(75)57-29/h9-10,25-28,31-34,38-41,66,70H,11-24H2,1-8H3,(H2,53,67)(H2,54,68)(H2,55,69)(H,56,74)(H,57,75)(H,58,77)(H,59,72)(H,60,73)(H,61,78)(H,62,76)(H,63,71)/b29-9+,30-10+/t26-,27+,28+,31-,32-,33-,34-,38-,39+,40-,41+/m0/s1 |
| InChIKey | BVPWTFZHTABZAH-IXKBYUEASA-N |
| Literature Reference Author | H.S.KANG,A.KRUNIC,Q.SHEN,S.M.SWANSON,J.ORJALA |
| Literature Reference Citation | J.NAT.PROD.,74,1597(2011) |
| Literature Reference DOI | 10.1021/np2002226 |
| Molecular Weight | 1152.743 g/mol |
| Sample ID | 39032 |
| Solvent | DMSO-D6 |