| SpectraBase Compound ID | 80ypOm84EY3 |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-26(2)23(33)10-13-28(4)19-7-8-21-27(3,16-18(19)15-20(32)25(26)28)12-9-22-29(21,5)14-11-24(34)30(22,6)17-31/h15,19,21-25,31,33-34H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24+,25-,27-,28+,29+,30+/m0/s1 |
| InChIKey | QLFHDTVFRVKLCZ-ANGLHQKGSA-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 | BsGX5XaZd01 |
|---|---|
| Name | 16-Oxo-3.alpha.,21.beta.-dihydroxyserrat-14-en-24-al |
| Appearance | Colorless prisms |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-26(2)23(33)10-13-28(4)19-7-8-21-27(3,16-18(19)15-20(32)25(26)28)12-9-22-29(21,5)14-11-24(34)30(22,6)17-31/h15,19,21-25,31,33-34H,7-14,16-17H2,1-6H3/t19-,21-,22+,23+,24+,25-,27-,28+,29+,30+/m0/s1 |
| InChIKey | QLFHDTVFRVKLCZ-ANGLHQKGSA-N |
| Instrument Name | MAT-95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0301590 |
| Molecular Weight | 472.710 g/mol |
| Optical Rotation | [a]D20 = -23.7 (c = 0.35, C5D5N) |
| Reported Formula | C30H46O4 |
| SMILES | O[C@@]1(CC[C@]2([C@]([C@]1(CO)C)(CC[C@@]1([C@@]2(CC[C@]2(C(C1)=CC([C@@]1([C@@]2(CC[C@](C1(C)C)(O)[H])C)[H])=O)[H])[H])C)[H])C)[H] |
| SPLASH | splash10-00dv-2900200000-38a117a5513c120ed2b9 |
| Source of Spectrum | G4-66-1331-5 |
| Wiley ID | 1883880 |