| SpectraBase Compound ID | JCKixYnn2hc |
|---|---|
| InChI | InChI=1S/C49H53NO12/c1-47(2)57-30-38(58-47)42-43(60-48(3,4)59-42)41-37-22-14-21-36-39(37)49(61-41,62-46(51)34-23-25-35(26-24-34)50(52)53)45(56-29-33-19-12-7-13-20-33)44(55-28-32-17-10-6-11-18-32)40(36)54-27-31-15-8-5-9-16-31/h5-21,23-26,36-45H,22,27-30H2,1-4H3/t36-,37-,38?,39?,40+,41-,42?,43?,44-,45+,49+/m0/s1 |
| InChIKey | ZKNXXHWVGXFUKC-LFQNNOOESA-N |
| Mol Weight | 848.0 g/mol |
| Molecular Formula | C49H53NO12 |
| Exact Mass | 847.356776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5T2SmfECkde |
|---|---|
| Name | ZKNXXHWVGXFUKC-LFQNNOOESA-N |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H53NO12 |
| InChI | InChI=1S/C49H53NO12/c1-47(2)57-30-38(58-47)42-43(60-48(3,4)59-42)41-37-22-14-21-36-39(37)49(61-41,62-46(51)34-23-25-35(26-24-34)50(52)53)45(56-29-33-19-12-7-13-20-33)44(55-28-32-17-10-6-11-18-32)40(36)54-27-31-15-8-5-9-16-31/h5-21,23-26,36-45H,22,27-30H2,1-4H3/t36-,37-,38?,39?,40+,41-,42?,43?,44-,45+,49+/m0/s1 |
| InChIKey | ZKNXXHWVGXFUKC-LFQNNOOESA-N |
| Literature Reference Author | S.JAROSZ |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3579(1997) |
| Literature Reference DOI | 10.1039/a707447f |
| Molecular Weight | 847.959 g/mol |
| Solvent | Unknown |
| Source File Reference | UWRU8100 |