| SpectraBase Compound ID | AS7DaXQZpPR |
|---|---|
| InChI | InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28+,29+,30-,31+/m1/s1 |
| InChIKey | BDHQMRXFDYJGII-NLEAACDFSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A6SAjoQsC2u |
|---|---|
| Name | 24-Methylenecycloartanol |
| Appearance | amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O |
| InChI | InChI=1S/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3/t22-,23-,24+,25+,26+,28+,29+,30-,31+/m1/s1 |
| InChIKey | BDHQMRXFDYJGII-NLEAACDFSA-N |
| Instrument Name | Kratos MS25RF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0400048 |
| Molecular Weight | 440.756 g/mol |
| Optical Rotation | [a]D25 = +19.8 (c = 0.10, CHCl3) |
| SMILES | O[C@@]1(C([C@]2([C@]3(CC1)[C@]1([C@@](CC2)([C@]2([C@](CC1)(C)[C@](CC2)([C@](C)(CCC(C(C)C)=C)[H])[H])C)[H])C3)[H])(C)C)[H] |
| SPLASH | splash10-0a4i-5228900000-10f8c4ad5e8ec654359d |
| Source of Spectrum | G4-67-SM3-3-3 |
| Wiley ID | 1881804 |