| SpectraBase Compound ID | LUZF2Q4VhCX |
|---|---|
| InChI | InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3 |
| InChIKey | GRBHNQFQFHLCHO-UHFFFAOYSA-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 | 4THZWXLciyW |
|---|---|
| Name | Lup-20(29)-en-3-one |
| Alternate Name(s) | (1R,3aR,4S,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-eicosahydro-cyclopenta[a]chrysen-9-one 1-isopropenyl-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one 3a,5a,5b,8,8,11a-hexamethyl-1-(1-methylethenyl)-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one 3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one Lup-20(30)-en-3-one Lupen-3-one Lupenone NSC 281807 |
| CAS Registry Number | 1617-70-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O |
| InChI | InChI=1S/C30H48O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-23,25H,1,9-18H2,2-8H3 |
| InChIKey | GRBHNQFQFHLCHO-UHFFFAOYSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | C12(C3(C(C4(CCC(C(C4CC3)(C)C)=O)C)CCC2C2C(C(=C)C)CCC2(CC1)C)C)C |
| SPLASH | splash10-00di-9000000000-fb360c730aba32e35397 |
| Source of Spectrum | QA-44-380-7 |
| Wiley ID | 862539 |