| SpectraBase Compound ID | HKAjmGclDs6 |
|---|---|
| InChI | InChI=1S/C30H48O3/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/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22-,23+,27+,28-,29-,30+/m1/s1 |
| InChIKey | MIJYXULNPSFWEK-ICNSIDBZSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | piaBt5gZ2f |
|---|---|
| Name | 3.BETA.-HYDROXYOLEAN-12-EN-28-OIC ACID |
| Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 456.360345403 u |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/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/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22-,23+,27+,28-,29-,30+/m1/s1 |
| InChIKey | MIJYXULNPSFWEK-ICNSIDBZSA-N |
| Molecular Weight | 456.711 g/mol |
| Nominal Mass | 456 u |
| Number of Peaks | 227 |
| SMILES | OC([C@]12CCC(C[C@@]1(C1=CC[C@@]3([C@]4(CC[C@@](C(C4CC[C@]3([C@@]1(CC2)C)C)(C)C)(O)[H])C)[H])[H])(C)C)=O |
| SPLASH | splash10-0f6w-9760000000-1125b3c7207bfa2640c7 |
| Source File Reference | LMCM-45181-457K |
| Source of Spectrum | Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms | OLEAN-12-EN-28-OIC ACID, 3-HYDROXY-, (3.BETA.)- 3-HYDROXYOLEAN-12-EN-28-OIC ACID (4aS,6aS,6bR,10S,12aR,12bR,14bR)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid |
| Wiley ID | 8_20067 |