| SpectraBase Compound ID | G1WdfWKfruK |
|---|---|
| InChI | InChI=1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | MHAVMNJPXLZEIG-CNRMHUMKSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C30H46O2 |
| Exact Mass | 438.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 23O5KjNLZGw |
|---|---|
| Name | lup-28-al-20(29)-en-3-one |
| Appearance | Colorless oil |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O2 |
| InChI | InChI=1S/C30H46O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-23,25H,1,8-17H2,2-7H3/t20-,21+,22-,23+,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | MHAVMNJPXLZEIG-CNRMHUMKSA-N |
| Instrument Name | JEOL JMS BU-20 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0104673 |
| Molecular Weight | 438.696 g/mol |
| Optical Rotation | [a]D25 = 35.2 (c = 0.3, CHCl3) |
| Reported Formula | C30H46O2 |
| SMILES | C1C[C@]2([C@](C(C1=O)(C)C)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]1([C@@]2([C@@](CC1)(C(=C)C)[H])[H])C=O)C)[H])[H])C)[H])C |
| SPLASH | splash10-06tr-0890500000-946cf2645c19ef82af69 |
| Source of Spectrum | G4-65-648-10 |
| Wiley ID | 1881121 |