| SpectraBase Compound ID | 3t9SmHNlKmZ |
|---|---|
| InChI | InChI=1S/C33H42O13/c1-15(34)41-20-8-10-21-19(13-20)7-9-23-22(21)11-12-33(5)24(23)14-25(38)30(33)46-32-29(44-18(4)37)27(43-17(3)36)26(42-16(2)35)28(45-32)31(39)40-6/h8,10,13,22-30,32,38H,7,9,11-12,14H2,1-6H3/t22?,23?,24?,25-,26+,27+,28+,29-,30+,32+,33+/m1/s1 |
| InChIKey | NLLBLXSOTRSPQB-XWGUXEPNSA-N |
| Mol Weight | 646.7 g/mol |
| Molecular Formula | C33H42O13 |
| Exact Mass | 646.262541 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tePmcZ9092 |
|---|---|
| Name | NLLBLXSOTRSPQB-XWGUXEPNSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O13 |
| InChI | InChI=1S/C33H42O13/c1-15(34)41-20-8-10-21-19(13-20)7-9-23-22(21)11-12-33(5)24(23)14-25(38)30(33)46-32-29(44-18(4)37)27(43-17(3)36)26(42-16(2)35)28(45-32)31(39)40-6/h8,10,13,22-30,32,38H,7,9,11-12,14H2,1-6H3/t22?,23?,24?,25-,26+,27+,28+,29-,30+,32+,33+/m1/s1 |
| InChIKey | NLLBLXSOTRSPQB-XWGUXEPNSA-N |
| Literature Reference Author | W.YINQIU,J.M.WATERS,L.F.BLACKWELL |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,1449(1996) |
| Literature Reference DOI | 10.1039/p29960001449 |
| Molecular Weight | 646.689 g/mol |
| Solvent | Unknown |
| Source File Reference | UWCP1831 |