| SpectraBase Compound ID | 4YBzFPnPLVg |
|---|---|
| InChI | InChI=1S/C25H38O4/c1-22(2)8-6-9-23(3)16(22)7-10-24(4)17(23)12-19(27)25(5)18(24)11-15(26)14-13-29-21(28)20(14)25/h15-19,26-27H,6-13H2,1-5H3/t15-,16-,17+,18-,19+,23-,24+,25+/m0/s1 |
| InChIKey | JATZQTKLRUQDOB-VYXBSXJOSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C25H38O4 |
| Exact Mass | 402.27701 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1YxHuZX5bE |
|---|---|
| Name | 18-Hydroxy-Scalarolide |
| Alternate Name(s) | (4S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-4,13-dihydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[1,2-g][2]benzofuran-1-one (4S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-4,13-dihydroxy-5b,8,8,11a,13a-pentamethyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[1,2-g]isobenzofuran-1-one (4S,5aS,5bR,7aS,11aS,11bR,13R,13aS)-5b,8,8,11a,13a-pentamethyl-4,13-bis(oxidanyl)-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[1,2-g][2]benzofuran-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O4 |
| InChI | InChI=1S/C25H38O4/c1-22(2)8-6-9-23(3)16(22)7-10-24(4)17(23)12-19(27)25(5)18(24)11-15(26)14-13-29-21(28)20(14)25/h15-19,26-27H,6-13H2,1-5H3/t15-,16-,17+,18-,19+,23-,24+,25+/m0/s1 |
| InChIKey | JATZQTKLRUQDOB-VYXBSXJOSA-N |
| Molecular Weight | 402.575 g/mol |
| SMILES | O[C@@]1(C[C@@]2([C@@]3([C@@](CC[C@]2([C@@]2(C[C@@](C4=C([C@@]12C)C(OC4)=O)(O)[H])[H])C)(C(CCC3)(C)C)[H])C)[H])[H] |
| SPLASH | splash10-0f79-0009600000-6c52a6f330481bdb28c0 |
| Source of Spectrum | G4-63-1371-2 |
| Wiley ID | 1608634 |