| SpectraBase Compound ID | IKVajRsZ16a |
|---|---|
| InChI | InChI=1S/C27H44O9/c1-6-16(2)24(33)36-23-22(35-18(4)31)17(3)25(5,9-7-19(13-29)8-10-28)21-11-20(32)12-26(15-34-26)27(21,23)14-30/h6,17,19-23,28-30,32H,7-15H2,1-5H3/b16-6+/t17-,19+,20-,21-,22-,23+,25?,26+,27+/m1/s1 |
| InChIKey | JBIBKHKMWKWVFN-PHWMBBTDSA-N |
| Mol Weight | 512.6 g/mol |
| Molecular Formula | C27H44O9 |
| Exact Mass | 512.298533 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1qPEIRLQ8Ou |
|---|---|
| Name | 7.beta.-Acetoxy-6.alpha.-(tigloyloxy)-4.alpha.,18-epoxy-neoclerodane-2.alpha.,15,16,19-tetraol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O9 |
| InChI | InChI=1S/C27H44O9/c1-6-16(2)24(33)36-23-22(35-18(4)31)17(3)25(5,9-7-19(13-29)8-10-28)21-11-20(32)12-26(15-34-26)27(21,23)14-30/h6,17,19-23,28-30,32H,7-15H2,1-5H3/b16-6+/t17-,19+,20-,21-,22-,23+,25?,26+,27+/m1/s1 |
| InChIKey | JBIBKHKMWKWVFN-PHWMBBTDSA-N |
| Molecular Weight | 512.640 g/mol |
| SMILES | OC[C@@](CCC1([C@]2(C[C@](C[C@]3([C@]2(CO)[C@]([C@@]([C@]1(C)[H])(OC(=O)C)[H])(OC(\C(=C\C)C)=O)[H])OC3)(O)[H])[H])C)(CCO)[H] |
| SPLASH | splash10-053u-9100000000-091063d0881342fc2859 |
| Source of Spectrum | G4-62-600-21 |
| Wiley ID | 1607871 |