| SpectraBase Compound ID | G0dZbeurHXZ |
|---|---|
| InChI | InChI=1S/C28H42O5/c1-16(30)24-18(15-29)28(7)22(13-19(24)33-17(2)31)27(6)12-9-20-25(3,4)10-8-11-26(20,5)21(27)14-23(28)32/h15,18-22,24H,8-14H2,1-7H3/t18-,19-,20?,21?,22?,24-,26-,27+,28+/m0/s1 |
| InChIKey | QWCRRICPNFUTJK-GAELHTNISA-N |
| Mol Weight | 458.6 g/mol |
| Molecular Formula | C28H42O5 |
| Exact Mass | 458.303224 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GIqBPWNm7TK |
|---|---|
| Name | 16.beta.-Acetoxy-24-methyl-12,24-dioxosclaran-25-al |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H42O5 |
| InChI | InChI=1S/C28H42O5/c1-16(30)24-18(15-29)28(7)22(13-19(24)33-17(2)31)27(6)12-9-20-25(3,4)10-8-11-26(20,5)21(27)14-23(28)32/h15,18-22,24H,8-14H2,1-7H3/t18-,19-,20?,21?,22?,24-,26-,27+,28+/m0/s1 |
| InChIKey | QWCRRICPNFUTJK-GAELHTNISA-N |
| Molecular Weight | 458.639 g/mol |
| SMILES | [C@@]12(C([C@@]3(CCC4[C@@](C3CC2=O)(CCCC4(C)C)C)C)C[C@@]([C@]([C@@]1(C=O)[H])(C(=O)C)[H])(OC(=O)C)[H])C |
| SPLASH | splash10-000l-0901000000-10709b058ef5658d642c |
| Source of Spectrum | X2-51-747-2 |
| Wiley ID | 1602745 |