| SpectraBase Compound ID | Kq7nTAmdyRo |
|---|---|
| InChI | InChI=1S/C27H32O11/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/h6-9,11,14-19,29,31-33H,10H2,1-5H3/t14-,15+,16-,17+,18-,19-,21-,22+,23-,24+,25-,26+,27+/m0/s1 |
| InChIKey | AQQVQSFDLYVCMJ-KJDUMSPISA-N |
| Mol Weight | 532.5 g/mol |
| Molecular Formula | C27H32O11 |
| Exact Mass | 532.194462 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FQGKaqJaGa8 |
|---|---|
| Name | 6-.beta.-Acetoxy-5-alpha,8-alpha,12-.alpha.-trihydroxy-28-nor-isotoonafolin-type of cpd. |
| Alternate Name(s) | Toonaciliatin H |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H32O11 |
| InChI | InChI=1S/C27H32O11/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/h6-9,11,14-19,29,31-33H,10H2,1-5H3/t14-,15+,16-,17+,18-,19-,21-,22+,23-,24+,25-,26+,27+/m0/s1 |
| InChIKey | AQQVQSFDLYVCMJ-KJDUMSPISA-N |
| Molecular Weight | 532.542 g/mol |
| SMILES | O[C@@]1([C@@]2([C@@]3([C@@]([C@]4([C@@]5([C@@]6([C@](C=C[C@@]5(O[C@]14[H])O)(OC([C@@]6(OC(=O)C)[H])=O)C)O)C)[H])(O)C)[C@@](C[C@]2(c1cocc1)[H])(O3)[H])C)[H] |
| SPLASH | splash10-056v-2920000000-40b8971fa226ea2866b6 |
| Source of Spectrum | G4-72-688-1 |
| Wiley ID | 1702062 |