| SpectraBase Compound ID | 4adSzufYoRS |
|---|---|
| InChI | InChI=1S/C31H46O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,19,21-23H,9-18H2,1-7H3/t21?,22?,23?,27?,28-,29-,30?,31?/m1/s1 |
| InChIKey | GCOIFIFVUKCXCU-OMSURZQCSA-N |
| Mol Weight | 482.7 g/mol |
| Molecular Formula | C31H46O4 |
| Exact Mass | 482.33961 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5z5QNAXSZQm |
|---|---|
| Name | 3-Methylene-4-formylhexamethyl-(pentacyclo)triterpene-carboxylic Acid - Methyl Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H46O4 |
| InChI | InChI=1S/C31H46O4/c1-26(2)14-16-31(25(34)35-7)17-15-29(5)20(21(31)18-26)8-9-23-27(3)12-11-24(33)28(4,19-32)22(27)10-13-30(23,29)6/h8,19,21-23H,9-18H2,1-7H3/t21?,22?,23?,27?,28-,29-,30?,31?/m1/s1 |
| InChIKey | GCOIFIFVUKCXCU-OMSURZQCSA-N |
| Molecular Weight | 482.705 g/mol |
| SMILES | [C@]12(C(C3CC(C)(C)CCC3(CC2)C(=O)OC)=CCC2C3(CCC([C@@](C3CCC12C)(C=O)C)=O)C)C |
| SPLASH | splash10-0uf0-0280900000-be991f52fe411d160ed7 |
| Source of Spectrum | X2-54-757-2 |
| Wiley ID | 1604083 |