| SpectraBase Compound ID | DmEQ3RMo6qW |
|---|---|
| InChI | InChI=1S/C39H56O6/c1-34(2)20-21-39(33(42)44-9)19-16-27-36(5)17-14-26-35(3,4)31(45-32(41)24-10-12-25(43-8)13-11-24)22-30(40)38(26,7)28(36)15-18-37(27,6)29(39)23-34/h10-13,16,26,28-31,40H,14-15,17-23H2,1-9H3/t26?,28?,29?,30?,31-,36-,37+,38?,39+/m0/s1 |
| InChIKey | CCQUXVSFGMBUGX-LYMSSWKOSA-N |
| Mol Weight | 620.9 g/mol |
| Molecular Formula | C39H56O6 |
| Exact Mass | 620.40769 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7hG3zshUTNq |
|---|---|
| Name | Methyl 1.beta.-hydroxy-Aleuritolic Acid - 3-(p-Methoxybenzoate) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H56O6 |
| InChI | InChI=1S/C39H56O6/c1-34(2)20-21-39(33(42)44-9)19-16-27-36(5)17-14-26-35(3,4)31(45-32(41)24-10-12-25(43-8)13-11-24)22-30(40)38(26,7)28(36)15-18-37(27,6)29(39)23-34/h10-13,16,26,28-31,40H,14-15,17-23H2,1-9H3/t26?,28?,29?,30?,31-,36-,37+,38?,39+/m0/s1 |
| InChIKey | CCQUXVSFGMBUGX-LYMSSWKOSA-N |
| Molecular Weight | 620.871 g/mol |
| SMILES | OC1C2(C3[C@](C=4[C@](C5CC(C)(C)CC[C@@]5(CC4)C(=O)OC)(CC3)C)(CCC2C([C@@](OC(c2ccc(cc2)OC)=O)(C1)[H])(C)C)C)C |
| SPLASH | splash10-000i-0931100000-5ac6e24e7fce43137de1 |
| Source of Spectrum | X2-58-8-9 |
| Wiley ID | 1605811 |