| SpectraBase Compound ID | 8J7rQzZ2kJy |
|---|---|
| InChI | InChI=1S/C45H70O10/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7-8,10-11,13-14,16-18,20,22,24-27,38-39,42-46,49-51H,3-4,6,9,12,15,19,21,23,28-37H2,1-2H3/b7-5-,10-8-,13-11-,16-14-,18-17-,22-20-,26-24-,27-25-/t38-,39-,42+,43+,44-,45-/m0/s1 |
| InChIKey | SHAALCCXWADAJS-PXIFWSMHSA-N |
| Mol Weight | 771.0 g/mol |
| Molecular Formula | C45H70O10 |
| Exact Mass | 770.496898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNmh12bTOg5 |
|---|---|
| Name | SHAALCCXWADAJS-PXIFWSMHSA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O10 |
| InChI | InChI=1S/C45H70O10/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5,7-8,10-11,13-14,16-18,20,22,24-27,38-39,42-46,49-51H,3-4,6,9,12,15,19,21,23,28-37H2,1-2H3/b7-5-,10-8-,13-11-,16-14-,18-17-,22-20-,26-24-,27-25-/t38-,39-,42+,43+,44-,45-/m0/s1 |
| InChIKey | SHAALCCXWADAJS-PXIFWSMHSA-N |
| Literature Reference Author | E.H.ANDRIANASOLO,L.HARAMATY,A.VARDI,E.WHITE,R.LUTZ,P.FALKOWS KI |
| Literature Reference Citation | J.NAT.PROD.,71,1197(2008) |
| Literature Reference DOI | 10.1021/np800124k |
| Molecular Weight | 771.045 g/mol |
| Sample ID | 28658 |
| Solvent | CDCl3 |