| SpectraBase Compound ID | 7W6MwvV79h9 |
|---|---|
| InChI | InChI=1S/C31H52O3/c1-21(25(33)34-9)28(5)12-10-23-29(6,22(28)11-19-32)16-18-31(8)24-20-26(2,3)13-14-27(24,4)15-17-30(23,31)7/h19,21-24H,10-18,20H2,1-9H3/t21?,22-,23?,24?,27-,28-,29+,30-,31+/m1/s1 |
| InChIKey | PWKQZDMZFVDSHE-RDSSVCRMSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C31H52O3 |
| Exact Mass | 472.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3iRZ1HL7gm |
|---|---|
| Name | 2,3-seco-Friedelan-2-al-3-oic Acid - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O3 |
| InChI | InChI=1S/C31H52O3/c1-21(25(33)34-9)28(5)12-10-23-29(6,22(28)11-19-32)16-18-31(8)24-20-26(2,3)13-14-27(24,4)15-17-30(23,31)7/h19,21-24H,10-18,20H2,1-9H3/t21?,22-,23?,24?,27-,28-,29+,30-,31+/m1/s1 |
| InChIKey | PWKQZDMZFVDSHE-RDSSVCRMSA-N |
| Molecular Weight | 472.754 g/mol |
| SMILES | [C@@]12([C@](C3CC(C)(C)CC[C@@]3(CC2)C)(CC[C@@]2(C1CC[C@@](C(C(=O)OC)C)(C)[C@]2(CC=O)[H])C)C)C |
| SPLASH | splash10-06dj-9250200000-dacab835de8c180d415b |
| Source of Spectrum | G4-64-1276-6 |
| Wiley ID | 1609256 |