| SpectraBase Compound ID | 8WOZ54N9lnZ |
|---|---|
| InChI | InChI=1S/C30H50O/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/h20-25,31H,1,9-18H2,2-8H3/t20-,21?,22?,23?,24-,25?,27+,28-,29+,30+/m0/s1 |
| InChIKey | MQYXUWHLBZFQQO-KIIHVYTKSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C30H50O |
| Exact Mass | 426.386166 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5V7PaWIMQl0 |
|---|---|
| Name | Lupeol |
| Appearance | White powder |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O |
| InChI | InChI=1S/C30H50O/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/h20-25,31H,1,9-18H2,2-8H3/t20-,21?,22?,23?,24-,25?,27+,28-,29+,30+/m0/s1 |
| InChIKey | MQYXUWHLBZFQQO-KIIHVYTKSA-N |
| Instrument Name | JMS-AX505WA HP5890 Series II |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/bkcs.12650 |
| Molecular Weight | 426.729 g/mol |
| Quality | 906 |
| SMILES | O[C@]1(CC[C@]2(C(C1(C)C)CC[C@@]1(C2CCC2[C@@]1(C)CC[C@@]1(C2[C@@](CC1)(C(C)=C)[H])C)C)C)[H] |
| SPLASH | splash10-05r9-3951300000-85d11bdc4b395125d37d |
| Source of Spectrum | QB-44-SM29-4 (DOI: 10.1002/bkcs.12650) |
| Wiley ID | 1911302 |