| SpectraBase Compound ID | CshcDfX0KEP |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)15-16-31(25(34)35-8)20(17-26)19-9-10-22-28(5)13-12-23(32)27(3,4)21(28)11-14-29(22,6)30(19,7)18-24(31)33/h9,20-24,32-33H,10-18H2,1-8H3/t20?,21?,22?,23?,24?,28?,29-,30-,31?/m1/s1 |
| InChIKey | ZSRIUUWYDGCPHU-HAIJYTHYSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GMasQIDEwAd |
|---|---|
| Name | Methyl echinocystate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)15-16-31(25(34)35-8)20(17-26)19-9-10-22-28(5)13-12-23(32)27(3,4)21(28)11-14-29(22,6)30(19,7)18-24(31)33/h9,20-24,32-33H,10-18H2,1-8H3/t20?,21?,22?,23?,24?,28?,29-,30-,31?/m1/s1 |
| InChIKey | ZSRIUUWYDGCPHU-HAIJYTHYSA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | OC1C2(CCC(CC2C=2[C@]([C@@]3(CCC4C(C(CCC4(C3CC2)C)O)(C)C)C)(C1)C)(C)C)C(=O)OC |
| SPLASH | splash10-0w29-0090100000-65e8fb09766f9a908079 |
| Source of Spectrum | X4-25-320-0 |
| Wiley ID | 1586257 |