| SpectraBase Compound ID | 7tl0YLeTu5z |
|---|---|
| InChI | InChI=1S/C32H51BrO3/c1-18-10-13-29(6)16-17-31(8)24(23(29)19(18)2)26(35)25(33)27-30(7)14-12-22(36-20(3)34)28(4,5)21(30)11-15-32(27,31)9/h18-19,21-25,27H,10-17H2,1-9H3 |
| InChIKey | YJXSOIURIMDRGC-UHFFFAOYSA-N |
| Mol Weight | 563.7 g/mol |
| Molecular Formula | C32H51BrO3 |
| Exact Mass | 562.302158 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1vz0xQszi27 |
|---|---|
| Name | Acetic acid, 14-bromo-4,4,6a,6b,8a,11,12,14b-octamethyl-13-oxodocosahydropicen-3-yl ester |
| Alternate Name(s) | 11-Bromo-12-oxoursan-3-yl acetate (14-bromo-4,4,6a,6b,8a,11,12,14b-octamethyl-13-oxo-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl) acetate (14-bromanyl-4,4,6a,6b,8a,11,12,14b-octamethyl-13-oxidanylidene-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl) ethanoate Acetic acid (14-bromo-4,4,6a,6b,8a,11,12,14b-octamethyl-13-oxo-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl) ester Acetic acid (14-bromo-13-keto-4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydropicen-3-yl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H51BrO3 |
| InChI | InChI=1S/C32H51BrO3/c1-18-10-13-29(6)16-17-31(8)24(23(29)19(18)2)26(35)25(33)27-30(7)14-12-22(36-20(3)34)28(4,5)21(30)11-15-32(27,31)9/h18-19,21-25,27H,10-17H2,1-9H3 |
| InChIKey | YJXSOIURIMDRGC-UHFFFAOYSA-N |
| Molecular Weight | 563.661 g/mol |
| SMILES | C12(C3(C(C4C(C(C)CCC4(CC3)C)C)C(C(C1C1(CCC(C(C1CC2)(C)C)OC(=O)C)C)Br)=O)C)C |
| SPLASH | splash10-00tf-4941100000-69d0f4e0527d7f0dbe4b |
| Wiley ID | 1488105 |