| SpectraBase Compound ID | 6wwYGkvxyiH |
|---|---|
| InChI | InChI=1S/C27H39ClO8/c1-10-14(3)24(30)34-19(13-21-26(7,8)36-21)16(5)18-12-20(28)27(9,32)23(22(18)33-17(6)29)35-25(31)15(4)11-2/h10-11,18-23,32H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19?,20+,21?,22+,23+,27-/m1/s1 |
| InChIKey | XOBNWEYRIDTWMJ-DWNQWMLRSA-N |
| Mol Weight | 527.1 g/mol |
| Molecular Formula | C27H39ClO8 |
| Exact Mass | 526.233346 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 571nYw5jhC |
|---|---|
| Name | 1.beta.-Acetoxy-2.beta.,8-diangeloyloxy-3.beta.-hydroxy-4.alpha.-chloro-10,11-epoxybisabol-7(14)-ene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H39ClO8 |
| InChI | InChI=1S/C27H39ClO8/c1-10-14(3)24(30)34-19(13-21-26(7,8)36-21)16(5)18-12-20(28)27(9,32)23(22(18)33-17(6)29)35-25(31)15(4)11-2/h10-11,18-23,32H,5,12-13H2,1-4,6-9H3/b14-10+,15-11+/t18-,19?,20+,21?,22+,23+,27-/m1/s1 |
| InChIKey | XOBNWEYRIDTWMJ-DWNQWMLRSA-N |
| Molecular Weight | 527.054 g/mol |
| SMILES | O[C@]1([C@]([C@]([C@@](C(C(CC2OC2(C)C)OC(\C(=C\C)C)=O)=C)(C[C@@]1(Cl)[H])[H])(OC(=O)C)[H])(OC(\C(=C\C)C)=O)[H])C |
| SPLASH | splash10-001i-9000000000-ca686b8bc0cea7657d6c |
| Source of Spectrum | QA-46-188-1 |
| Wiley ID | 863178 |