| SpectraBase Compound ID | 7Of47A0Q1L7 |
|---|---|
| InChI | InChI=1S/C32H52O3/c1-19-18-25(34)30(7)16-17-31(8)22(27(30)20(19)2)10-11-24-29(6)14-13-26(35-21(3)33)28(4,5)23(29)12-15-32(24,31)9/h18,20,22-27,34H,10-17H2,1-9H3/t20-,22-,23+,24-,25+,26+,27-,29+,30+,31-,32-/m1/s1 |
| InChIKey | YQWJBOIWTCHHNM-VHOGQRKMSA-N |
| Mol Weight | 484.8 g/mol |
| Molecular Formula | C32H52O3 |
| Exact Mass | 484.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6qJJu1Jhd80 |
|---|---|
| Name | 3.beta.-Acetoxy-20-taraxasten-22.alpha.-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O3 |
| InChI | InChI=1S/C32H52O3/c1-19-18-25(34)30(7)16-17-31(8)22(27(30)20(19)2)10-11-24-29(6)14-13-26(35-21(3)33)28(4,5)23(29)12-15-32(24,31)9/h18,20,22-27,34H,10-17H2,1-9H3/t20-,22-,23+,24-,25+,26+,27-,29+,30+,31-,32-/m1/s1 |
| InChIKey | YQWJBOIWTCHHNM-VHOGQRKMSA-N |
| Molecular Weight | 484.765 g/mol |
| SMILES | O[C@]1(C=C([C@]([C@@]2([C@@]3([C@]([C@]4([C@]([C@]5(CC[C@@](C([C@@]5(CC4)[H])(C)C)(OC(=O)C)[H])C)([H])CC3)C)(CC[C@@]12C)C)[H])[H])(C)[H])C)[H] |
| SPLASH | splash10-0540-0901400000-485cf5efb1c482f9655c |
| Source of Spectrum | G4-63-900-2 |
| Synonyms | (3beta,9alpha,13beta,18alpha,19alpha,22alpha)-22-hydroxyurs-20-en-3-yl acetate Acetic acid[(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl]ester [(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-9-oxidanyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl]ethanoate [(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl]acetate [(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-9-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate [(3S,4aR,6aR,6aR,6bR,8aR,9S,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-9-oxidanyl-2,3,4a,5,6,6a,7,8,9,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] ethanoate |
| Wiley ID | 1608490 |