| SpectraBase Compound ID | 4NfaPMOycPm |
|---|---|
| InChI | InChI=1S/C28H38O3/c1-16-14-25(31-26(30)17(16)2)18(3)22-8-9-23-21-7-6-19-15-20(29)10-12-27(19,4)24(21)11-13-28(22,23)5/h10,12,15,18,21-25H,6-9,11,13-14H2,1-5H3/t18-,21-,22+,23-,24-,25-,27-,28+/m0/s1 |
| InChIKey | XNASBJNLSIWJAM-VAKBHZBHSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C28H38O3 |
| Exact Mass | 422.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1Es3HgMzBuL |
|---|---|
| Name | Minabeolide 1 |
| CAS Registry Number | 114820-24-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O3 |
| InChI | InChI=1S/C28H38O3/c1-16-14-25(31-26(30)17(16)2)18(3)22-8-9-23-21-7-6-19-15-20(29)10-12-27(19,4)24(21)11-13-28(22,23)5/h10,12,15,18,21-25H,6-9,11,13-14H2,1-5H3/t18-,21-,22+,23-,24-,25-,27-,28+/m0/s1 |
| InChIKey | XNASBJNLSIWJAM-VAKBHZBHSA-N |
| Molecular Weight | 422.609 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(C=CC(=O)C4)C)[H])(CC[C@@]1([C@@]([C@]1(OC(=O)C(=C(C1)C)C)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-00di-0902200000-df241b124bc8f1fa2a37 |
| Source of Spectrum | J-53-3929-1 |
| Wiley ID | 1378812 |