| SpectraBase Compound ID | IFmPl7aWcib |
|---|---|
| InChI | InChI=1S/C49H89NO7/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-40-47(53)56-43-45(57-48(54)41-38-35-32-29-26-24-22-20-17-14-11-8-5-2)49(55)44(42-51)50-46(52)39-36-33-30-27-18-15-12-9-6-3/h11,14,20,22,26,29,44-45,49,51,55H,4-10,12-13,15-19,21,23-25,27-28,30-43H2,1-3H3,(H,50,52)/b14-11-,22-20-,29-26-/t44-,45-,49+/m0/s1 |
| InChIKey | ZWRWCDYNQPJUJY-MWNPFMMGSA-N |
| Mol Weight | 804.3 g/mol |
| Molecular Formula | C49H89NO7 |
| Exact Mass | 803.663904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88KUYQisRll |
|---|---|
| Name | BATHYMODIOLAMIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H89NO7 |
| InChI | InChI=1S/C49H89NO7/c1-4-7-10-13-16-19-21-23-25-28-31-34-37-40-47(53)56-43-45(57-48(54)41-38-35-32-29-26-24-22-20-17-14-11-8-5-2)49(55)44(42-51)50-46(52)39-36-33-30-27-18-15-12-9-6-3/h11,14,20,22,26,29,44-45,49,51,55H,4-10,12-13,15-19,21,23-25,27-28,30-43H2,1-3H3,(H,50,52)/b14-11-,22-20-,29-26-/t44-,45-,49+/m0/s1 |
| InChIKey | ZWRWCDYNQPJUJY-MWNPFMMGSA-N |
| Literature Reference Author | E.H.ANDRIANASOLO,L.HARAMATY,K.L.MCPHAIL,E.WHITE,C.VETRIANI,P .FALKOWSKI,R.LUTZ |
| Literature Reference Citation | J.NAT.PROD.,74,842(2011) |
| Literature Reference DOI | 10.1021/np100601w |
| Molecular Weight | 804.248 g/mol |
| Sample ID | 38006 |
| Solvent | CD3OD |