| SpectraBase Compound ID | 7DEwZ2gRg4L |
|---|---|
| InChI | InChI=1S/C30H44O3/c1-19(2)15-21-16-20(17-33-21)22-7-8-23-27(22,3)12-9-24-28(23,4)13-10-25-29(24,5)14-11-26(32)30(25,6)18-31/h8,11,14-15,20-22,24-25,31H,7,9-10,12-13,16-18H2,1-6H3/t20?,21?,22-,24?,25?,27-,28-,29+,30+/m0/s1 |
| InChIKey | JCLDKRWJQPCDDY-LLRMOYQQSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C30H44O3 |
| Exact Mass | 452.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfoeJdUBEUi |
|---|---|
| Name | Dysorone D |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 452.329045274 u |
| Formula | C30H44O3 |
| InChI | InChI=1S/C30H44O3/c1-19(2)15-21-16-20(17-33-21)22-7-8-23-27(22,3)12-9-24-28(23,4)13-10-25-29(24,5)14-11-26(32)30(25,6)18-31/h8,11,14-15,20-22,24-25,31H,7,9-10,12-13,16-18H2,1-6H3/t20?,21?,22-,24?,25?,27-,28-,29+,30+/m0/s1 |
| InChIKey | JCLDKRWJQPCDDY-LLRMOYQQSA-N |
| Molecular Weight | 452.679 g/mol |
| SMILES | C=12[C@]3(C([C@]4(C=CC([C@@](C4CC3)(CO)C)=O)C)CC[C@]2([C@](C2COC(C=C(C)C)C2)(CC1)[H])C)C |