| SpectraBase Compound ID | EBKg9TgAg4U |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16(28)32-15-27-12-9-18-24(2,3)10-6-11-25(18,4)20(27)13-21(29)26(5)19(27)8-7-17-14-31-23(30)22(17)26/h7,18-23,29-30H,6,8-15H2,1-5H3/t18-,19+,20+,21+,22+,23+,25-,26+,27+/m0/s1 |
| InChIKey | JEKWLYYGSPKXIZ-FVIMVWJTSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FntBN5Q9GEA |
|---|---|
| Name | 24-Acetoxy-12-deacetyl-12-(epi)-deoxoscalarin |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H42O5 |
| InChI | InChI=1S/C27H42O5/c1-16(28)32-15-27-12-9-18-24(2,3)10-6-11-25(18,4)20(27)13-21(29)26(5)19(27)8-7-17-14-31-23(30)22(17)26/h7,18-23,29-30H,6,8-15H2,1-5H3/t18-,19+,20+,21+,22+,23+,25-,26+,27+/m0/s1 |
| InChIKey | JEKWLYYGSPKXIZ-FVIMVWJTSA-N |
| Molecular Weight | 446.628 g/mol |
| SMILES | O[C@@]1(C[C@@]2([C@@]3([C@@](CC[C@]2([C@]2([C@]1([C@@]1(C(CO[C@]1(O)[H])=CC2)[H])C)[H])COC(=O)C)(C(CCC3)(C)C)[H])C)[H])[H] |
| SPLASH | splash10-05ox-9802300000-9e2f841c5b5b42fe550f |
| Source of Spectrum | X2-52-293-4 |
| Synonyms | Acetic acid [(1R,5aS,5bS,7aS,11aS,11bR,13R,13aS,13bS)-1,13-dihydroxy-8,8,11a,13a-tetramethyl-1,3,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e]isobenzofuran-5b-yl]methyl ester [(1R,5aS,5bS,7aS,11aS,11bR,13R,13aS,13bS)-1,13-dihydroxy-8,8,11a,13a-tetramethyl-1,3,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-5b-yl]methyl acetate [(1R,5aS,5bS,7aS,11aS,11bR,13R,13aS,13bS)-1,13-dihydroxy-8,8,11a,13a-tetramethyl-1,3,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e]isobenzofuran-5b-yl]methyl acetate [(1R,5aS,5bS,7aS,11aS,11bR,13R,13aS,13bS)-8,8,11a,13a-tetramethyl-1,13-bis(oxidanyl)-1,3,5,5a,6,7,7a,9,10,11,11b,12,13,13b-tetradecahydrophenanthro[2,1-e][2]benzofuran-5b-yl]methyl ethanoate |
| Wiley ID | 1603055 |