| SpectraBase Compound ID | 1miKpvmyTUb |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1 |
| InChIKey | XNZIMRUZBOZIBC-JVRMVBBZSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C31H50O3 |
| Exact Mass | 470.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1nWndrt1U7d |
|---|---|
| Name | methyl lup-20(29)-en-3-one-28-oic acid |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,28-,29+,30+,31-/m0/s1 |
| InChIKey | XNZIMRUZBOZIBC-JVRMVBBZSA-N |
| Instrument Name | JEOL JMS BU-20 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np0104673 |
| Molecular Weight | 470.738 g/mol |
| Optical Rotation | [a]D25 = 39.7 (c = 0.3, CHCl3) |
| Reported Formula | C31H48O3 |
| SMILES | O[C@]1(CC[C@]2([C@](C1(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)OC)C)[H])[H])C)[H])C)[H] |
| SPLASH | splash10-0mii-0690500000-79c4362df5cb05c1dcc2 |
| Source of Spectrum | G4-65-648-13 |
| Wiley ID | 1881122 |