![SECO-[D-ASP3]-MICROCYSTIN-RR](/api/spectrum/2VrSLzxenwu/structure.png?h=300&w=458 "SECO-[D-ASP3]-MICROCYSTIN-RR")
| SpectraBase Compound ID | 7uu0Jn0GD4S |
|---|---|
| InChI | InChI=1S/C48H75N13O13/c1-26(23-27(2)37(74-7)24-31-13-9-8-10-14-31)17-18-32(28(3)40(65)60-35(45(70)71)19-20-38(63)53-6)58-43(68)33(15-11-21-54-47(49)50)57-39(64)25-36(46(72)73)61-44(69)34(16-12-22-55-48(51)52)59-41(66)29(4)56-42(67)30(5)62/h8-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-7H3,(H,53,63)(H,56,67)(H,57,64)(H,58,68)(H,59,66)(H,60,65)(H,61,69)(H,70,71)(H,72,73)(H4,49,50,54)(H4,51,52,55)/b18-17+,26-23+/t27-,28-,29-,32+,33+,34-,35+,36-,37-/m1/s1 |
| InChIKey | RDMMSXPNHDOGME-XOMVFMTMSA-N |
| Mol Weight | 1042.2 g/mol |
| Molecular Formula | C48H75N13O13 |
| Exact Mass | 1041.56073 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2VrSLzxenwu |
|---|---|
| Name | SECO-[D-ASP3]-MICROCYSTIN-RR |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H75N13O13 |
| InChI | InChI=1S/C48H75N13O13/c1-26(23-27(2)37(74-7)24-31-13-9-8-10-14-31)17-18-32(28(3)40(65)60-35(45(70)71)19-20-38(63)53-6)58-43(68)33(15-11-21-54-47(49)50)57-39(64)25-36(46(72)73)61-44(69)34(16-12-22-55-48(51)52)59-41(66)29(4)56-42(67)30(5)62/h8-10,13-14,17-18,23,27-29,32-37H,11-12,15-16,19-22,24-25H2,1-7H3,(H,53,63)(H,56,67)(H,57,64)(H,58,68)(H,59,66)(H,60,65)(H,61,69)(H,70,71)(H,72,73)(H4,49,50,54)(H4,51,52,55)/b18-17+,26-23+/t27-,28-,29-,32+,33+,34-,35+,36-,37-/m1/s1 |
| InChIKey | RDMMSXPNHDOGME-XOMVFMTMSA-N |
| Literature Reference Author | O.GRACH-POGREBINSKY,B.SEDMAK,S.CARMELI |
| Literature Reference Citation | J.NAT.PROD.,67,337(2004) |
| Literature Reference DOI | 10.1021/np034036r |
| Molecular Weight | 1042.203 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP4050 |