| SpectraBase Compound ID | E4CLzHj3Tb0 |
|---|---|
| InChI | InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20?,22?,23?,27-,28-,29-,30+/m0/s1 |
| InChIKey | DBCAVZSSFGIHQZ-GYHKJRFHSA-N |
| Mol Weight | 424.7 g/mol |
| Molecular Formula | C30H48O |
| Exact Mass | 424.370516 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I2ETgYfb6Wa |
|---|---|
| Name | D-Friedoolean-14-en-3-one |
| Alternate Name(s) | 4,4,6a,8a,11,11,12b,14b-Octamethyl-1,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-3(2H)-picenone (6aR,6aS,8aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-2,4a,5,6,8,9,10,12,12a,13,14,14a-dodecahydro-1H-picen-3-one .delta.14-Taraxene-3-one Skimmione Taraxer-14-en-3-one Taraxeron Taraxerone |
| CAS Registry Number | 514-07-8 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-23H,10-19H2,1-8H3/t20?,22?,23?,27-,28-,29-,30+/m0/s1 |
| InChIKey | DBCAVZSSFGIHQZ-GYHKJRFHSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | C=12[C@]3(C([C@]4(CCC(C(C4CC3)(C)C)=O)C)CC[C@]2(C2CC(C)(C)CC[C@@]2(CC1)C)C)C |
| SPLASH | splash10-00di-0000900000-2f37edffbd1c6eebce42 |
| Source of Spectrum | QA-44-323-14 |
| Wiley ID | 862434 |