| SpectraBase Compound ID | 3KFF1eKNrqa |
|---|---|
| InChI | InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)17(22)9-12-24(4)18-8-7-15-16(14-28-21(15)27)25(18,5)20(26)13-19(23)24/h7,16-20,26H,6,8-14H2,1-5H3/t16-,17-,18-,19+,20+,23-,24-,25+/m0/s1 |
| InChIKey | XJAQPGLKAWWKLX-JBPGZYRBSA-N |
| Mol Weight | 386.6 g/mol |
| Molecular Formula | C25H38O3 |
| Exact Mass | 386.282095 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DaWpc14y0or |
|---|---|
| Name | (5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e]isobenzofuran-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H38O3 |
| InChI | InChI=1S/C25H38O3/c1-22(2)10-6-11-23(3)17(22)9-12-24(4)18-8-7-15-16(14-28-21(15)27)25(18,5)20(26)13-19(23)24/h7,16-20,26H,6,8-14H2,1-5H3/t16-,17-,18-,19+,20+,23-,24-,25+/m0/s1 |
| InChIKey | XJAQPGLKAWWKLX-JBPGZYRBSA-N |
| Molecular Weight | 386.576 g/mol |
| SMILES | O[C@]1([C@]2([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(C1)[H])(CCCC4(C)C)C)[H])C)(CC=C1[C@@]2(COC1=O)[H])[H])C)[H] |
| SPLASH | splash10-0006-0911000000-f70eddf15dea01929644 |
| Source of Spectrum | G-63-1675-2 |
| Synonyms | (5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-3-one (5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-13-hydroxy-5b,8,8,11a,13a-pentamethyl-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthr[2,1-e]isobenzofuran-3-one (5aS,5bR,7aS,11aS,11bR,13R,13aS,13bR)-5b,8,8,11a,13a-pentamethyl-13-oxidanyl-5,5a,6,7,7a,9,10,11,11b,12,13,13b-dodecahydro-1H-phenanthro[2,1-e][2]benzofuran-3-one |
| Wiley ID | 749424 |