| SpectraBase Compound ID | AhUOGWiA6fy |
|---|---|
| InChI | InChI=1S/C22H30O5/c1-13(24)27-19-16(25)9-21(3)17-6-5-14-10-26-11-15(14)20(17,2)8-7-18(21)22(19,4)12-23/h10-11,17-19,23H,5-9,12H2,1-4H3/t17?,18?,19-,20-,21+,22+/m0/s1 |
| InChIKey | RXAHIJGRSQAORT-CQKHRQFZSA-N |
| Mol Weight | 374.48 g/mol |
| Molecular Formula | C22H30O5 |
| Exact Mass | 374.209324 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B08oLopZVcu |
|---|---|
| Name | 3.beta.-Acetoxy-19-hydroxy-spongia-13(16),14-dien-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H30O5 |
| InChI | InChI=1S/C22H30O5/c1-13(24)27-19-16(25)9-21(3)17-6-5-14-10-26-11-15(14)20(17,2)8-7-18(21)22(19,4)12-23/h10-11,17-19,23H,5-9,12H2,1-4H3/t17?,18?,19-,20-,21+,22+/m0/s1 |
| InChIKey | RXAHIJGRSQAORT-CQKHRQFZSA-N |
| Molecular Weight | 374.477 g/mol |
| SMILES | OC[C@@]1(C2[C@@](C3[C@](c4cocc4CC3)(CC2)C)(CC([C@@]1(OC(=O)C)[H])=O)C)C |
| SPLASH | splash10-014r-0097000000-26f9562508a8ee8bf4d6 |
| Source of Spectrum | X2-51-296-4 |
| Synonyms | Acetic acid [(3bR,6S,7R,9aR)-6-(hydroxymethyl)-3b,6,9a-trimethyl-8-oxo-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e]isobenzofuran-7-yl] ester [(3bR,6S,7R,9aR)-6-(hydroxymethyl)-3b,6,9a-trimethyl-8-oxo-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-yl] acetate [(3bR,6S,7R,9aR)-6-(hydroxymethyl)-3b,6,9a-trimethyl-8-oxo-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e]isobenzofuran-7-yl] acetate [(3bR,6S,7R,9aR)-6-(hydroxymethyl)-3b,6,9a-trimethyl-8-oxidanylidene-4,5,5a,7,9,9b,10,11-octahydronaphtho[2,1-e][2]benzofuran-7-yl] ethanoate |
| Wiley ID | 1602594 |