| SpectraBase Compound ID | FXnazXrJ4jM |
|---|---|
| InChI | InChI=1S/C30H48O7/c1-16(2)8-9-24-29(7,37-26(3,4)36-24)23-10-11-30(35)18-13-19(31)17-12-20(32)21(33)14-27(17,5)25(18)22(34)15-28(23,30)6/h13,16-17,20-25,32-35H,8-12,14-15H2,1-7H3/t17-,20?,21?,22+,23?,24?,25?,27-,28+,29+,30+/m0/s1 |
| InChIKey | HNFIAGLFDMBJTE-KNQRUPCESA-N |
| Mol Weight | 520.7 g/mol |
| Molecular Formula | C30H48O7 |
| Exact Mass | 520.340004 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JAOjVSfN7UF |
|---|---|
| Name | Ajugasterone C - 20,22-Monoacetonide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O7 |
| InChI | InChI=1S/C30H48O7/c1-16(2)8-9-24-29(7,37-26(3,4)36-24)23-10-11-30(35)18-13-19(31)17-12-20(32)21(33)14-27(17,5)25(18)22(34)15-28(23,30)6/h13,16-17,20-25,32-35H,8-12,14-15H2,1-7H3/t17-,20?,21?,22+,23?,24?,25?,27-,28+,29+,30+/m0/s1 |
| InChIKey | HNFIAGLFDMBJTE-KNQRUPCESA-N |
| Molecular Weight | 520.707 g/mol |
| SMILES | OC1C[C@@]2(C3[C@@](C[C@]4([C@@](CCC4[C@]4(OC(C)(C)OC4CCC(C)C)C)(C3=CC([C@@]2(CC1O)[H])=O)O)C)(O)[H])C |
| SPLASH | splash10-03ki-1911810000-e7a15ee3744600195d88 |
| Source of Spectrum | X4-28-62-0 |
| Wiley ID | 1586448 |