| SpectraBase Compound ID | GsOlmslFQNf |
|---|---|
| InChI | InChI=1S/C49H71NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-38(51)59-48-31-37(56-5)47(53)30-35(39(48)44(47)58-45(52)34-25-22-21-23-26-34)49-36(55-4)28-29-46(33-54-3)32-50(2)43(49)40(48)41(57-6)42(46)49/h8-9,11-12,14-15,21-23,25-26,35-37,39-44,53H,7,10,13,16-20,24,27-33H2,1-6H3/b9-8+,12-11+,15-14+/t35-,36+,37+,39-,40?,41+,42-,43?,44-,46+,47+,48-,49+/m1/s1 |
| InChIKey | HLVDUIQFRSVJGT-BJCAQQQLSA-N |
| Mol Weight | 818.1 g/mol |
| Molecular Formula | C49H71NO9 |
| Exact Mass | 817.512883 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RPkzUOdhXF |
|---|---|
| Name | 14-BENZOYLDELPHONINE-8-LINOLENATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H71NO9 |
| InChI | InChI=1S/C49H71NO9/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-27-38(51)59-48-31-37(56-5)47(53)30-35(39(48)44(47)58-45(52)34-25-22-21-23-26-34)49-36(55-4)28-29-46(33-54-3)32-50(2)43(49)40(48)41(57-6)42(46)49/h8-9,11-12,14-15,21-23,25-26,35-37,39-44,53H,7,10,13,16-20,24,27-33H2,1-6H3/b9-8+,12-11+,15-14+/t35-,36+,37+,39-,40?,41+,42-,43?,44-,46+,47+,48-,49+/m1/s1 |
| InChIKey | HLVDUIQFRSVJGT-BJCAQQQLSA-N |
| Literature Reference Author | Y.BAI,H.K.DESAI,S.W.PELLETIER |
| Literature Reference Citation | J.NAT.PROD.,57,963(1994) |
| Literature Reference DOI | 10.1021/np50109a013 |
| Molecular Weight | 818.104 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS1492 |