| SpectraBase Compound ID | AmRQT2O9JTF |
|---|---|
| InChI | InChI=1S/C51H80O11/c1-35(2)47-36(3)25-26-38-28-40(57-48(4,5)55-38)30-42-32-44(61-50(8,9)59-42)34-45-33-43(60-51(10,11)62-45)31-41-29-39(56-49(6,7)58-41)27-37(52)23-21-19-17-15-13-12-14-16-18-20-22-24-46(53)54-47/h12-22,24,35-45,47,52H,23,25-34H2,1-11H3/b13-12+,16-14+,17-15+,20-18+,21-19+,24-22+/t36-,37+,38-,39-,40-,41-,42-,43-,44+,45+,47-/m0/s1 |
| InChIKey | YICZOPJPBWWPHO-LPDXEDLJSA-N |
| Mol Weight | 869.2 g/mol |
| Molecular Formula | C51H80O11 |
| Exact Mass | 868.570063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CBNyrWZCNpE |
|---|---|
| Name | YICZOPJPBWWPHO-LPDXEDLJSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O11 |
| InChI | InChI=1S/C51H80O11/c1-35(2)47-36(3)25-26-38-28-40(57-48(4,5)55-38)30-42-32-44(61-50(8,9)59-42)34-45-33-43(60-51(10,11)62-45)31-41-29-39(56-49(6,7)58-41)27-37(52)23-21-19-17-15-13-12-14-16-18-20-22-24-46(53)54-47/h12-22,24,35-45,47,52H,23,25-34H2,1-11H3/b13-12+,16-14+,17-15+,20-18+,21-19+,24-22+/t36-,37+,38-,39-,40-,41-,42-,43-,44+,45+,47-/m0/s1 |
| InChIKey | YICZOPJPBWWPHO-LPDXEDLJSA-N |
| Literature Reference Author | D.G.KIM,K.MOON,S.H.KIM,S.H.PARK,S.PARK,S.K.LEE,K.B.OH,J.SHIN ,D.C.OH |
| Literature Reference Citation | J.NAT.PROD.,75,959(2012) |
| Literature Reference DOI | 10.1021/np3001915 |
| Molecular Weight | 869.190 g/mol |
| Sample ID | 40467 |
| Solvent | TOLUENE-D8 |