| SpectraBase Compound ID | Ja27oWxOgho |
|---|---|
| InChI | InChI=1S/C30H46O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-22,31,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20?,21-,22-,26+,27-,28-,29-,30+/m1/s1 |
| InChIKey | LJORXTIGOHMBOS-CPELGSBZSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C30H46O5 |
| Exact Mass | 486.334525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LxOVgeQJNGc |
|---|---|
| Name | 2.alpha.,19.alpha.-Dihydroxy-3-oxo-12-ursen-28-oic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O5 |
| InChI | InChI=1S/C30H46O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-22,31,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20?,21-,22-,26+,27-,28-,29-,30+/m1/s1 |
| InChIKey | LJORXTIGOHMBOS-CPELGSBZSA-N |
| Molecular Weight | 486.693 g/mol |
| SMILES | O[C@@]1(C[C@]2(C(CC[C@]3([C@]4(C([C@]5([C@@](C(=O)O)(CC4)CC[C@]([C@]5(O)C)(C)[H])[H])=CC[C@]23[H])C)C)C(C1=O)(C)C)C)[H] |
| SPLASH | splash10-0002-0912000000-50b12ad61c31175a60f9 |
| Source of Spectrum | G4-59-645-1 |
| Synonyms | (1R,2R,4aS,6aR,6aS,6bR,11R,12aR,14bS)-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid (1R,2R,4aS,6aR,6aS,6bR,11R,12aR,14bS)-1,11-dihydroxy-10-keto-1,2,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid (1R,2R,4aS,6aR,6aS,6bR,11R,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-1,11-bis(oxidanyl)-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid |
| Wiley ID | 1606379 |