| SpectraBase Compound ID | BK2k8Nln9a0 |
|---|---|
| InChI | InChI=1S/C42H62O24/c1-15(7-17-3-5-19(59-39-35(55)31(51)27(47)23(11-43)63-39)21(9-17)61-41-37(57)33(53)29(49)25(13-45)65-41)16(2)8-18-4-6-20(60-40-36(56)32(52)28(48)24(12-44)64-40)22(10-18)62-42-38(58)34(54)30(50)26(14-46)66-42/h3-6,9-10,15-16,23-58H,7-8,11-14H2,1-2H3/t15-,16+,23-,24-,25+,26+,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39-,40-,41+,42+/m1/s1 |
| InChIKey | PCFJPTCRJKRWHF-IFBUNQBHSA-N |
| Mol Weight | 950.9 g/mol |
| Molecular Formula | C42H62O24 |
| Exact Mass | 950.363103 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JzhXv4Ic43L |
|---|---|
| Name | LARREALIGNAN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H62O24 |
| InChI | InChI=1S/C42H62O24/c1-15(7-17-3-5-19(59-39-35(55)31(51)27(47)23(11-43)63-39)21(9-17)61-41-37(57)33(53)29(49)25(13-45)65-41)16(2)8-18-4-6-20(60-40-36(56)32(52)28(48)24(12-44)64-40)22(10-18)62-42-38(58)34(54)30(50)26(14-46)66-42/h3-6,9-10,15-16,23-58H,7-8,11-14H2,1-2H3/t15-,16+,23-,24-,25+,26+,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39-,40-,41+,42+/m1/s1 |
| InChIKey | PCFJPTCRJKRWHF-IFBUNQBHSA-N |
| Literature Reference Author | A.YOKOSUKA,Y.MATSUO,M.JITSUNO,K.ADACHI,Y.MIMAKI |
| Literature Reference Citation | CHEM.PHARM.BULL.,59,1467(2011) |
| Literature Reference DOI | 10.1248/cpb.59.1467 |
| Molecular Weight | 950.940 g/mol |
| Source File Reference | UWIR3739 |