| SpectraBase Compound ID | ElrbWPMGeU2 |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22-,23?,26-,27?,28+,29-,30-/m1/s1 |
| InChIKey | JZFSMVXQUWRSIW-FVEGXBIZSA-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 | CK7zLlRaDOU |
|---|---|
| Name | 3-HYDROXYOLEAN-12-EN-29-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)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22-,23?,26-,27?,28+,29-,30-/m1/s1 |
| InChIKey | JZFSMVXQUWRSIW-FVEGXBIZSA-N |
| Molecular Weight | 456.711 g/mol |
| Nominal Mass | 456 u |
| Number of Peaks | 402 |
| SMILES | OC(C1(C[C@@]2(C3=CC[C@@]4([C@]5(CCC(C(C5CC[C@]4([C@@]3(CC[C@]2(CC1)C)C)C)(C)C)O)C)[H])[H])C)=O |
| SPLASH | splash10-0002-7890000000-5d58a79b500857f170cf |
| Source File Reference | LMCM-60473-891B |
| Source of Spectrum | Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms | 10-HYDROXY-2,4A,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-EICOSAHYDRO-PICENE-2-CARBOXYLIC ACID (4aS,6aS,6bR,12aR,12bR,14bS)-10-hydroxy-2,4a,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-2-carboxylic acid |
| Wiley ID | 8_15817 |