| SpectraBase Compound ID | BFU1YuThpb0 |
|---|---|
| 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/t20-,21-,22-,23+,25-,27+,28-,29+,30+/m0/s1 |
| InChIKey | GRBHNQFQFHLCHO-RFEACVJKSA-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 | 9J24WNrw2PM |
|---|---|
| Name | Lup-20(29)-en-3-one |
| Alternate Name(s) | (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-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 (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-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 (1R,3aR,5aR,5bR,7aR,11aR,11bR,13aS,13bS)-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 |
| 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/t20-,21-,22-,23+,25-,27+,28-,29+,30+/m0/s1 |
| InChIKey | GRBHNQFQFHLCHO-RFEACVJKSA-N |
| Molecular Weight | 424.713 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CCC(C([C@@]4(CC3)[H])(C)C)=O)C)([H])CC[C@]2([C@@]2([C@](C(=C)C)(CC[C@@]2(CC1)C)[H])[H])[H])C)C |
| SPLASH | splash10-0pb9-0290300000-dc307cea38e5e7fe6c29 |
| Source of Spectrum | E1-40-1684-0 |
| Wiley ID | 1519519 |