![[D-ASP-(3),(E)-DHB-(7)]-MICROCYSTIN-HTY-Y](/api/spectrum/5m0ONcqUyvT/structure.png?h=300&w=458 "[D-ASP-(3),(E)-DHB-(7)]-MICROCYSTIN-HTY-Y")
| SpectraBase Compound ID | 37OUDBgOceA |
|---|---|
| InChI | InChI=1S/C55H69N7O14/c1-7-40-51(69)56-34(5)50(68)60-42(24-18-35-14-19-38(63)20-15-35)52(70)62-45(55(74)75)30-48(66)58-44(28-37-16-21-39(64)22-17-37)53(71)59-41(33(4)49(67)61-43(54(72)73)25-26-47(65)57-40)23-13-31(2)27-32(3)46(76-6)29-36-11-9-8-10-12-36/h7-17,19-23,27,32-34,41-46,63-64H,18,24-26,28-30H2,1-6H3,(H,56,69)(H,57,65)(H,58,66)(H,59,71)(H,60,68)(H,61,67)(H,62,70)(H,72,73)(H,74,75)/b23-13+,31-27+,40-7-/t32-,33+,34-,41+,42+,43-,44+,45-,46-/m1/s1 |
| InChIKey | WIUASVUEJTVYML-LDPNJKDYSA-N |
| Mol Weight | 1052.2 g/mol |
| Molecular Formula | C55H69N7O14 |
| Exact Mass | 1051.49025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5m0ONcqUyvT |
|---|---|
| Name | [D-ASP-(3),(E)-DHB-(7)]-MICROCYSTIN-HTY-Y |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H69N7O14 |
| InChI | InChI=1S/C55H69N7O14/c1-7-40-51(69)56-34(5)50(68)60-42(24-18-35-14-19-38(63)20-15-35)52(70)62-45(55(74)75)30-48(66)58-44(28-37-16-21-39(64)22-17-37)53(71)59-41(33(4)49(67)61-43(54(72)73)25-26-47(65)57-40)23-13-31(2)27-32(3)46(76-6)29-36-11-9-8-10-12-36/h7-17,19-23,27,32-34,41-46,63-64H,18,24-26,28-30H2,1-6H3,(H,56,69)(H,57,65)(H,58,66)(H,59,71)(H,60,68)(H,61,67)(H,62,70)(H,72,73)(H,74,75)/b23-13+,31-27+,40-7-/t32-,33+,34-,41+,42+,43-,44+,45-,46-/m1/s1 |
| InChIKey | WIUASVUEJTVYML-LDPNJKDYSA-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 | 1052.191 g/mol |
| Sample ID | 29285 |
| Solvent | CD3OD |