| SpectraBase Compound ID | 61ZYhAmKlWO |
|---|---|
| InChI | InChI=1S/C29H36O10/c1-24-11-19-26(3)29-20(24)21(31)28(39-29,36-12-17(24)22(32)37-19)16-6-5-13-9-14(35-4)10-18(30)25(13,2)15(16)7-8-27(29,34)23(33)38-26/h13-17,19-20,34H,5-12H2,1-4H3/t13-,14-,15-,16+,17-,19+,20?,24+,25-,26-,27+,28-,29-/m0/s1 |
| InChIKey | MAIVUBJRXHFVCR-NYVKYQPTSA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C29H36O10 |
| Exact Mass | 544.230847 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K1INYK9bN6W |
|---|---|
| Name | Physalin W |
| Appearance | Colorless gum |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H36O10 |
| InChI | InChI=1S/C29H36O10/c1-24-11-19-26(3)29-20(24)21(31)28(39-29,36-12-17(24)22(32)37-19)16-6-5-13-9-14(35-4)10-18(30)25(13,2)15(16)7-8-27(29,34)23(33)38-26/h13-17,19-20,34H,5-12H2,1-4H3/t13-,14-,15-,16+,17-,19+,20?,24+,25-,26-,27+,28-,29-/m0/s1 |
| InChIKey | MAIVUBJRXHFVCR-NYVKYQPTSA-N |
| Instrument Name | JEOL JMS 700 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0701374 |
| Molecular Weight | 544.597 g/mol |
| Optical Rotation | [a]D25 = +6.8 (c = 0.02, MeOH) |
| Reported Formula | C29H36O10 |
| SMILES | O[C@@]12CC[C@@]3([C@]4(C(C[C@](C[C@@]4(CC[C@]3([C@]34C(C5[C@@]1([C@]([C@]1(C[C@@]5([C@](C(O1)=O)(CO3)[H])C)[H])(OC2=O)C)O4)=O)[H])[H])(OC)[H])=O)C)[H] |
| SPLASH | splash10-0059-0005980000-a68a00a46d067317cc08 |
| Source of Spectrum | G4-70-1151-8 |
| Wiley ID | 1874574 |