| SpectraBase Compound ID | 4hC8QWevnde |
|---|---|
| InChI | InChI=1S/C28H44O5/c1-15(2)16(3)7-8-17(4)19-9-10-20-18-13-23(31)28(33)12-11-21(29)25(32)27(28,6)24(18)22(30)14-26(19,20)5/h11-12,15,17-24,29-31,33H,3,7-10,13-14H2,1-2,4-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,26-,27+,28+/m1/s1 |
| InChIKey | XLUAFUWMFZEETH-QFEHSGLGSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C28H44O5 |
| Exact Mass | 460.318875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lri2yqzezlx |
|---|---|
| Name | Stoloniferone G |
| Appearance | amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H44O5 |
| InChI | InChI=1S/C28H44O5/c1-15(2)16(3)7-8-17(4)19-9-10-20-18-13-23(31)28(33)12-11-21(29)25(32)27(28,6)24(18)22(30)14-26(19,20)5/h11-12,15,17-24,29-31,33H,3,7-10,13-14H2,1-2,4-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,26-,27+,28+/m1/s1 |
| InChIKey | XLUAFUWMFZEETH-QFEHSGLGSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0201873 |
| Molecular Weight | 460.655 g/mol |
| Optical Rotation | [a]D25 = -21.7 (c = 0.12, CHCl3) |
| Reported Formula | C28H44O5 |
| SMILES | O[C@]1(C([C@]2([C@@]([C@@](C[C@@]3([C@@]2([C@@](C[C@]2([C@]3(CC[C@@]2([C@](C)(CCC(C(C)C)=C)[H])[H])[H])C)(O)[H])[H])[H])(O)[H])(C=C1)O)C)=O)[H] |
| SPLASH | splash10-052r-0900000000-06d7b74d1fc2c527ea33 |
| Source of Spectrum | G4-65-1539-6 |
| Wiley ID | 1883488 |