| SpectraBase Compound ID | 9s3VYWjjPgo |
|---|---|
| InChI | InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23-,27-,28+,29+,30-/m0/s1 |
| InChIKey | KICUTMUDQMLBSF-GWKPGGNQSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C30H46O3 |
| Exact Mass | 454.344695 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LvoEnPruPta |
|---|---|
| Name | 3.beta.-Hydroxyolean-9(11),12-dien-28-oic acid |
| Appearance | Colorless flowers of needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O3 |
| InChI | InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23-,27-,28+,29+,30-/m0/s1 |
| InChIKey | KICUTMUDQMLBSF-GWKPGGNQSA-N |
| Instrument Name | Finnigan MAT 312 double focusing |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020127x |
| Molecular Weight | 454.695 g/mol |
| Reported Formula | C30H46O3 |
| SMILES | O[C@]1(CC[C@@]2(C3=CC=C4[C@]5([C@@](C(O)=O)(CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)CCC(C5)(C)C)[H])C)[H] |
| SPLASH | splash10-0udr-0041900000-45b550ba424196c85c89 |
| Source of Spectrum | G4-65-1941-1 |
| Synonyms | Elucalyptanoic acid |
| Wiley ID | 1883547 |