| SpectraBase Compound ID | 44j8pK81QYU |
|---|---|
| InChI | InChI=1S/C33H54O3/c1-21-13-16-29(5)19-20-31(7)23(27(29)33(21,9)35-10)11-12-25-30(6)17-15-26(36-22(2)34)28(3,4)24(30)14-18-32(25,31)8/h13,23-27H,11-12,14-20H2,1-10H3/t23-,24+,25-,26+,27-,29-,30+,31-,32-,33-/m1/s1 |
| InChIKey | XMLNRAKOWISVEK-MDCXNHFBSA-N |
| Mol Weight | 498.8 g/mol |
| Molecular Formula | C33H54O3 |
| Exact Mass | 498.407296 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FQkhKLJiSBk |
|---|---|
| Name | 3.beta.-Acetoxy-19.alpha.-methoxy-20-taraxastene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H54O3 |
| InChI | InChI=1S/C33H54O3/c1-21-13-16-29(5)19-20-31(7)23(27(29)33(21,9)35-10)11-12-25-30(6)17-15-26(36-22(2)34)28(3,4)24(30)14-18-32(25,31)8/h13,23-27H,11-12,14-20H2,1-10H3/t23-,24+,25-,26+,27-,29-,30+,31-,32-,33-/m1/s1 |
| InChIKey | XMLNRAKOWISVEK-MDCXNHFBSA-N |
| Molecular Weight | 498.792 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CC[C@@](C([C@@]4(CC3)[H])(C)C)(OC(=O)C)[H])C)([H])CC[C@@]2([C@]2([C@@](C(C)=CC[C@@]2(CC1)C)(OC)C)[H])[H])C)C |
| SPLASH | splash10-014i-0201900000-54afd75d1af3979a09d2 |
| Source of Spectrum | G4-63-900-5 |
| Synonyms | (3beta,9alpha,13beta,18alpha)-19-methoxyurs-20-en-3-yl acetate Acetic acid[(3S,4aR,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-12-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,12a,13,14,14a-tetradecahydropicen-3-yl]ester [(3S,4aR,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-12-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,12a,13,14,14a-tetradecahydropicen-3-yl]acetate [(3S,4aR,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-12-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,12a,13,14,14a-tetradecahydropicen-3-yl]ethanoate [(3S,4aR,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-12-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,12a,13,14,14a-tetradecahydropicen-3-yl] acetate [(3S,4aR,6aR,6aR,6bR,8aS,12S,12aR,14aR,14bR)-12-methoxy-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,12a,13,14,14a-tetradecahydropicen-3-yl] ethanoate |
| Wiley ID | 1608487 |