![[D-ASP-(3),(E)-DHB-(7)]-MICROCYSTIN-HTY-HTY](/api/spectrum/5kKe0vIS7vX/structure.png?h=300&w=458 "[D-ASP-(3),(E)-DHB-(7)]-MICROCYSTIN-HTY-HTY")
| SpectraBase Compound ID | 7UmeSfvrDH3 |
|---|---|
| InChI | InChI=1S/C56H71N7O14/c1-7-41-52(70)57-35(5)51(69)61-44(26-19-37-16-22-40(65)23-17-37)54(72)63-46(56(75)76)31-49(67)59-43(25-18-36-14-20-39(64)21-15-36)53(71)60-42(34(4)50(68)62-45(55(73)74)27-28-48(66)58-41)24-13-32(2)29-33(3)47(77-6)30-38-11-9-8-10-12-38/h7-17,20-24,29,33-35,42-47,64-65H,18-19,25-28,30-31H2,1-6H3,(H,57,70)(H,58,66)(H,59,67)(H,60,71)(H,61,69)(H,62,68)(H,63,72)(H,73,74)(H,75,76)/b24-13+,32-29+,41-7-/t33-,34+,35-,42+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | DGGUSUVUIGDKFF-CCHZKMCESA-N |
| Mol Weight | 1066.2 g/mol |
| Molecular Formula | C56H71N7O14 |
| Exact Mass | 1065.5059 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5kKe0vIS7vX |
|---|---|
| Name | [D-ASP-(3),(E)-DHB-(7)]-MICROCYSTIN-HTY-HTY |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H71N7O14 |
| InChI | InChI=1S/C56H71N7O14/c1-7-41-52(70)57-35(5)51(69)61-44(26-19-37-16-22-40(65)23-17-37)54(72)63-46(56(75)76)31-49(67)59-43(25-18-36-14-20-39(64)21-15-36)53(71)60-42(34(4)50(68)62-45(55(73)74)27-28-48(66)58-41)24-13-32(2)29-33(3)47(77-6)30-38-11-9-8-10-12-38/h7-17,20-24,29,33-35,42-47,64-65H,18-19,25-28,30-31H2,1-6H3,(H,57,70)(H,58,66)(H,59,67)(H,60,71)(H,61,69)(H,62,68)(H,63,72)(H,73,74)(H,75,76)/b24-13+,32-29+,41-7-/t33-,34+,35-,42+,43+,44+,45-,46-,47-/m1/s1 |
| InChIKey | DGGUSUVUIGDKFF-CCHZKMCESA-N |
| Literature Reference Author | G.CHRISTIANSEN,W.Y.YOSHIDA,J.F.BLOM,C.PORTMANN,K.GADEMANN,T. HEMSCHEIDT,R.KURMAYE |
| Literature Reference Citation | J.NAT.PROD.,71,1881(2008) |
| Literature Reference DOI | 10.1021/np800397u |
| Molecular Weight | 1066.218 g/mol |
| Sample ID | 29286 |
| Solvent | CD3OD |