| SpectraBase Compound ID | FTVUsUOC7Ql |
|---|---|
| InChI | InChI=1S/C31H50O5/c1-9-27(4)13-11-14-28(5)22(27)12-15-29(6)23(28)17-25(33)30(7)20-18-35-31(8,34-10-2)26(20)21(16-24(29)30)36-19(3)32/h20-24,26H,9-18H2,1-8H3/t20-,21-,22-,23+,24-,26-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | YMLKGNBUEWFOCX-RDDQGQBDSA-N |
| Mol Weight | 502.7 g/mol |
| Molecular Formula | C31H50O5 |
| Exact Mass | 502.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LIotpgeBLA8 |
|---|---|
| Name | [(3S,3aS,4S,5aS,5bR,7aS,8S,11aS,11bR,13aS,13bS)-3-ethoxy-8-ethyl-3,5b,8,11a,13a-pentamethyl-13-oxo-1,3a,4,5,5a,6,7,7a,9,10,11,11b,12,13b-tetradecahydrophenanthro[2,1-e]isobenzofuran-4-yl] acetate |
| Appearance | Amorphous solid |
| Carrier Gas | Helium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O5 |
| InChI | InChI=1S/C31H50O5/c1-9-27(4)13-11-14-28(5)22(27)12-15-29(6)23(28)17-25(33)30(7)20-18-35-31(8,34-10-2)26(20)21(16-24(29)30)36-19(3)32/h20-24,26H,9-18H2,1-8H3/t20-,21-,22-,23+,24-,26-,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | YMLKGNBUEWFOCX-RDDQGQBDSA-N |
| Instrument Name | Hewlett-Packard HP6890 GS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np040073m |
| Molecular Weight | 502.736 g/mol |
| SMILES | [C@@]12([H])CC[C@]3([C@@]4([H])[C@@](C(C[C@@]3([C@]1(CCC[C@@]2(CC)C)C)[H])=O)(C)[C@@]1([C@@]([C@](C4)(OC(C)=O)[H])([C@](OC1)(OCC)C)[H])[H])C |
| SPLASH | splash10-0002-0439000000-599e9f1b5c9268ec597f |
| Source of Spectrum | G4-67-1509-6 |
| Wiley ID | 1881898 |