| SpectraBase Compound ID | JTUZISoxPMo |
|---|---|
| InChI | InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28?,30-,31-,32+,33-,34-,35-,36-/m1/s1 |
| InChIKey | DAEFUOXKPZLQMM-PAHJAMCZSA-N |
| Mol Weight | 622.9 g/mol |
| Molecular Formula | C37H66O7 |
| Exact Mass | 622.480854 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KlLXjUEx9my |
|---|---|
| Name | Annonin I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H66O7 |
| InChI | InChI=1S/C37H66O7/c1-3-4-5-15-19-30(38)20-17-22-32(40)34-24-26-36(44-34)35-25-23-33(43-35)31(39)21-16-13-11-9-7-6-8-10-12-14-18-29-27-28(2)42-37(29)41/h27-28,30-36,38-40H,3-26H2,1-2H3/t28?,30-,31-,32+,33-,34-,35-,36-/m1/s1 |
| InChIKey | DAEFUOXKPZLQMM-PAHJAMCZSA-N |
| Molecular Weight | 622.928 g/mol |
| SMILES | O[C@@](CCC[C@](O)(CCCCCC)[H])([C@@]1(O[C@@]([C@@]2(O[C@@]([C@@](CCCCCCCCCCCCC=3C(OC(C)C3)=O)(O)[H])(CC2)[H])[H])(CC1)[H])[H])[H] |
| SPLASH | splash10-0002-9332000000-49ef16b11affdcca0b1f |
| Source of Spectrum | X2-53-247-16 |
| Wiley ID | 1603375 |