![[D-ASP3]-MICROCYSTIN-RR](/api/spectrum/BIviOuuRHu5/structure.png?h=300&w=458 "[D-ASP3]-MICROCYSTIN-RR")
| SpectraBase Compound ID | JS9B9vvFZjX |
|---|---|
| InChI | InChI=1S/C48H73N13O12/c1-26(23-27(2)37(73-7)24-31-13-9-8-10-14-31)17-18-32-28(3)40(64)59-35(45(69)70)19-20-39(63)61(6)30(5)42(66)55-29(4)41(65)58-34(16-12-22-54-48(51)52)44(68)60-36(46(71)72)25-38(62)56-33(43(67)57-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,27-29,32-37H,5,11-12,15-16,19-22,24-25H2,1-4,6-7H3,(H,55,66)(H,56,62)(H,57,67)(H,58,65)(H,59,64)(H,60,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+/t27-,28+,29-,32+,33+,34-,35-,36-,37-/m1/s1 |
| InChIKey | UNKUVURYGRFCIZ-ZOLXXIOYSA-N |
| Mol Weight | 1024.2 g/mol |
| Molecular Formula | C48H73N13O12 |
| Exact Mass | 1023.550165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BIviOuuRHu5 |
|---|---|
| Name | [D-ASP3]-MICROCYSTIN-RR |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H73N13O12 |
| InChI | InChI=1S/C48H73N13O12/c1-26(23-27(2)37(73-7)24-31-13-9-8-10-14-31)17-18-32-28(3)40(64)59-35(45(69)70)19-20-39(63)61(6)30(5)42(66)55-29(4)41(65)58-34(16-12-22-54-48(51)52)44(68)60-36(46(71)72)25-38(62)56-33(43(67)57-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,27-29,32-37H,5,11-12,15-16,19-22,24-25H2,1-4,6-7H3,(H,55,66)(H,56,62)(H,57,67)(H,58,65)(H,59,64)(H,60,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+/t27-,28+,29-,32+,33+,34-,35-,36-,37-/m1/s1 |
| InChIKey | UNKUVURYGRFCIZ-ZOLXXIOYSA-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 | 1024.188 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWKP4051 |