| SpectraBase Compound ID | IaNpC7vcBrK |
|---|---|
| InChI | InChI=1S/C27H30O11/c1-12(28)35-19-20(30)38-21(2)7-8-25(32)23(4,26(19,21)33)17-16(37-25)18(29)22(3)14(13-6-9-34-11-13)10-15-27(22,36-15)24(17,5)31/h6-9,11,14-17,19,31-33H,10H2,1-5H3/t14-,15+,16-,17+,19-,21-,22+,23-,24+,25-,26+,27+/m0/s1 |
| InChIKey | GRNZBGWUEOICKI-ABIJRLSZSA-N |
| Mol Weight | 530.53 g/mol |
| Molecular Formula | C27H30O11 |
| Exact Mass | 530.178812 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 24H9wBTIkh5 |
|---|---|
| Name | 6-.beta.-Acetoxy-5-alpha,8-.alpha.-dihydroxy-12-oxo-28-nor-isotoonafolin-type of cpd. |
| Alternate Name(s) | Toonaciliatin I |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H30O11 |
| InChI | InChI=1S/C27H30O11/c1-12(28)35-19-20(30)38-21(2)7-8-25(32)23(4,26(19,21)33)17-16(37-25)18(29)22(3)14(13-6-9-34-11-13)10-15-27(22,36-15)24(17,5)31/h6-9,11,14-17,19,31-33H,10H2,1-5H3/t14-,15+,16-,17+,19-,21-,22+,23-,24+,25-,26+,27+/m0/s1 |
| InChIKey | GRNZBGWUEOICKI-ABIJRLSZSA-N |
| Molecular Weight | 530.526 g/mol |
| SMILES | O[C@@]12O[C@@]3(C([C@@]4([C@@]5([C@@]([C@]3([C@@]1([C@@]1([C@](C=C2)(OC([C@@]1(OC(=O)C)[H])=O)C)O)C)[H])(O)C)[C@@](C[C@]4(c1cocc1)[H])(O5)[H])C)=O)[H] |
| SPLASH | splash10-059j-2910000000-ca510339ce92672d07f6 |
| Source of Spectrum | G4-72-688-2 |
| Wiley ID | 1702061 |