| SpectraBase Compound ID | 148mdqpTbY8 |
|---|---|
| InChI | InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21?,23-,24?,25-,26?,27+,29-,30+,31-,32-/m1/s1 |
| InChIKey | SFEUTIOWNUGQMZ-FVIZVXJGSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C32H52O2 |
| Exact Mass | 468.396731 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | K36aT9VnTUP |
|---|---|
| Name | Taraxasterol - acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H52O2 |
| InChI | InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h21,23-27H,1,10-19H2,2-9H3/t21?,23-,24?,25-,26?,27+,29-,30+,31-,32-/m1/s1 |
| InChIKey | SFEUTIOWNUGQMZ-FVIZVXJGSA-N |
| Molecular Weight | 468.766 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CCC(C(C4CC3)(C)C)OC(=O)C)C)([H])CC[C@@]2([C@@]2(C(C(=C)CC[C@@]2(CC1)C)C)[H])[H])C)C |
| SPLASH | splash10-014r-3930200000-0f1a89ca7e2276324774 |
| Source of Spectrum | PS-1995-0-21 |
| Synonyms | (9alpha,13beta)-urs-20(30)-en-3-yl acetate [(6aR,6aR,6bR,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate [(6aR,6aR,6bR,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] acetate [(6aR,6aR,6bR,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl] ethanoate |
| Wiley ID | 880055 |