| SpectraBase Compound ID | 74zYDosYQM7 |
|---|---|
| InChI | InChI=1S/C32H50O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,13,16,22,24,27-28H,10,12,14-15,17-20H2,1-9H3/t22-,24+,27+,28+,30-,31+,32-/m1/s1 |
| InChIKey | SJXLZCIHOACHCY-KMDRULEYSA-N |
| Mol Weight | 466.8 g/mol |
| Molecular Formula | C32H50O2 |
| Exact Mass | 466.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1hlVxxy7kG |
|---|---|
| Name | Antiquol C - 3-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O2 |
| InChI | InChI=1S/C32H50O2/c1-21(2)11-10-12-22(3)24-15-19-32(9)26-13-14-27-29(5,6)28(34-23(4)33)17-18-30(27,7)25(26)16-20-31(24,32)8/h11,13,16,22,24,27-28H,10,12,14-15,17-20H2,1-9H3/t22-,24+,27+,28+,30-,31+,32-/m1/s1 |
| InChIKey | SJXLZCIHOACHCY-KMDRULEYSA-N |
| Molecular Weight | 466.750 g/mol |
| SMILES | C1=2C([C@]3(CC[C@@](C([C@@]3(CC2)[H])(C)C)(OC(=O)C)[H])C)=CC[C@@]2([C@@]1(CC[C@]2([C@@](CCC=C(C)C)(C)[H])[H])C)C |
| SPLASH | splash10-014l-9133400000-23ee63af6951dad12aa2 |
| Source of Spectrum | G4-65-161-2 |
| Synonyms | Acetic acid [(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5R,10S,13S,14S,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1609396 |