| SpectraBase Compound ID | Co92UVINJKG |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20?,21?,22?,23-,26-,27+,28-,29-,30?/m1/s1 |
| InChIKey | CZWBKSDPBWNHGO-OLEBYMDASA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ERxpOqYRvEu |
|---|---|
| Name | 3-(epi)-Mesembryanthemoidigenic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-25(2)21-9-12-29(6)22(27(21,4)11-10-23(25)32)8-7-19-20-17-26(3,18-31)13-15-30(20,24(33)34)16-14-28(19,29)5/h7,20-23,31-32H,8-18H2,1-6H3,(H,33,34)/t20?,21?,22?,23-,26-,27+,28-,29-,30?/m1/s1 |
| InChIKey | CZWBKSDPBWNHGO-OLEBYMDASA-N |
| Molecular Weight | 472.710 g/mol |
| SMILES | OC[C@]1(CC2C=3[C@@](CCC2(C(=O)O)CC1)([C@@]1(CCC2C([C@@](CC[C@@]2(C1CC3)C)(O)[H])(C)C)C)C)C |
| SPLASH | splash10-0gx0-0190000000-decb7d8649ea8cb54ed2 |
| Source of Spectrum | X2-52-628-12 |
| Wiley ID | 1603117 |