| SpectraBase Compound ID | BIDKZgbmRwV |
|---|---|
| InChI | InChI=1S/C42H77NO7/c1-4-7-10-13-16-19-20-22-25-27-30-33-40(46)49-36-38(50-41(47)34-31-28-24-18-15-12-9-6-3)42(48)37(35-44)43-39(45)32-29-26-23-21-17-14-11-8-5-2/h12,15,24,28,37-38,42,44,48H,4-11,13-14,16-23,25-27,29-36H2,1-3H3,(H,43,45)/b15-12-,28-24-/t37-,38-,42+/m0/s1 |
| InChIKey | YTZVSMIKWGYJCS-KTQSWVMESA-N |
| Mol Weight | 708.1 g/mol |
| Molecular Formula | C42H77NO7 |
| Exact Mass | 707.570004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSXzj2YcTRJ |
|---|---|
| Name | BATHYMODIOLAMIDE_B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H77NO7 |
| InChI | InChI=1S/C42H77NO7/c1-4-7-10-13-16-19-20-22-25-27-30-33-40(46)49-36-38(50-41(47)34-31-28-24-18-15-12-9-6-3)42(48)37(35-44)43-39(45)32-29-26-23-21-17-14-11-8-5-2/h12,15,24,28,37-38,42,44,48H,4-11,13-14,16-23,25-27,29-36H2,1-3H3,(H,43,45)/b15-12-,28-24-/t37-,38-,42+/m0/s1 |
| InChIKey | YTZVSMIKWGYJCS-KTQSWVMESA-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 | 708.076 g/mol |
| Sample ID | 38007 |
| Solvent | CD3OD |