| SpectraBase Compound ID | 40jrZkQLSUc |
|---|---|
| InChI | InChI=1S/C33H54O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h21,23,25,28-29H,3,11-20H2,1-2,4-10H3/t23-,25-,28-,29-,31+,32-,33+/m0/s1 |
| InChIKey | XJAUCFFDVQSSEW-DULYNBFYSA-N |
| Mol Weight | 482.8 g/mol |
| Molecular Formula | C33H54O2 |
| Exact Mass | 482.412381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4QgOp2WmUy |
|---|---|
| Name | Euphorbol - 3-acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H54O2 |
| InChI | InChI=1S/C33H54O2/c1-21(2)22(3)11-12-23(4)25-15-19-33(10)27-13-14-28-30(6,7)29(35-24(5)34)17-18-31(28,8)26(27)16-20-32(25,33)9/h21,23,25,28-29H,3,11-20H2,1-2,4-10H3/t23-,25-,28-,29-,31+,32-,33+/m0/s1 |
| InChIKey | XJAUCFFDVQSSEW-DULYNBFYSA-N |
| Molecular Weight | 482.793 g/mol |
| SMILES | [C@@]12(C3=C([C@]4(CC[C@@](C([C@@]4(CC3)[H])(C)C)(OC(=O)C)[H])C)CC[C@]2([C@]([C@](CCC(=C)C(C)C)(C)[H])(CC1)[H])C)C |
| SPLASH | splash10-014l-9021800000-2251af06320e1fde8427 |
| Source of Spectrum | G4-65-161-4 |
| Synonyms | Acetic acid [(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methyl-5-methyleneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5R,10S,13S,14S,17S)-17-[(1S)-1,5-dimethyl-4-methylene-hexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,5R,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methyl-5-methylidene-heptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate |
| Wiley ID | 1609392 |