| SpectraBase Compound ID | 2CVXZbi2CpN |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-7-24(3)12-8-13-25(4)18(24)11-14-26(5)19-10-9-17-16(2)30-23(29)22(17)27(19,6)21(28)15-20(25)26/h16,18-21,28H,7-15H2,1-6H3/t16-,18?,19?,20?,21+,24-,25-,26-,27+/m0/s1 |
| InChIKey | ZJHCKXNQASXDJG-FHRKEUSPSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6SHkdilVLvr |
|---|---|
| Name | 12-epi-Phyllofolactone-B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-7-24(3)12-8-13-25(4)18(24)11-14-26(5)19-10-9-17-16(2)30-23(29)22(17)27(19,6)21(28)15-20(25)26/h16,18-21,28H,7-15H2,1-6H3/t16-,18?,19?,20?,21+,24-,25-,26-,27+/m0/s1 |
| InChIKey | ZJHCKXNQASXDJG-FHRKEUSPSA-N |
| Molecular Weight | 414.630 g/mol |
| SMILES | O[C@]1([C@@]2(C=3C(O[C@](C3CCC2[C@@]2(CCC3[C@@](C2C1)(CCC[C@@]3(CC)C)C)C)(C)[H])=O)C)[H] |
| SPLASH | splash10-066r-0921000000-9326082e752bf9f0d441 |
| Source of Spectrum | Y1-32-1196-1 |
| Synonyms | (3S,5bR,8S,11aS,13R,13aS)-8-ethyl-13-hydroxy-3,5b,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 (3S,5bR,8S,11aS,13R,13aS)-8-ethyl-13-hydroxy-3,5b,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 (3S,5bR,8S,11aS,13R,13aS)-8-ethyl-3,5b,8,11a,13a-pentamethyl-13-oxidanyl-4,5,5a,6,7,7a,9,10,11,11b,12,13-dodecahydro-3H-phenanthro[1,2-g][2]benzofuran-1-one |
| Wiley ID | 1526190 |