| SpectraBase Compound ID | KplDf2MJvCS |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-19-11-8-17-20(2,9-5-10-21(17,3)18(22)23-4)16(19)7-6-14-12-24-13-15(14)19/h12-13,16-17H,5-11H2,1-4H3/t16?,17?,19-,20+,21-/m0/s1 |
| InChIKey | IGYDONOPDSVEGH-CDTIHJJTSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 87RpXVZC3AE |
|---|---|
| Name | Methyl Spongine-13(14),16-dien-19-oate |
| Alternate Name(s) | (3bR,6S,9aR)-3b,6,9a-trimethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e]isobenzofuran-6-carboxylic acid methyl ester Methyl (3bR,6S,9aR)-3b,6,9a-trimethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e]isobenzofuran-6-carboxylate Methyl (3bR,6S,9aR)-3b,6,9a-trimethyl-5,5a,7,8,9,9b,10,11-octahydro-4H-naphtho[2,1-e][2]benzofuran-6-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-19-11-8-17-20(2,9-5-10-21(17,3)18(22)23-4)16(19)7-6-14-12-24-13-15(14)19/h12-13,16-17H,5-11H2,1-4H3/t16?,17?,19-,20+,21-/m0/s1 |
| InChIKey | IGYDONOPDSVEGH-CDTIHJJTSA-N |
| Molecular Weight | 330.468 g/mol |
| SMILES | [C@]12(c3c(coc3)CCC2[C@]2(CCC[C@@](C2CC1)(C(=O)OC)C)C)C |
| SPLASH | splash10-00lr-0529000000-b779a9b87b6ee2947f33 |
| Source of Spectrum | X4-20-690-0 |
| Wiley ID | 1585743 |