| SpectraBase Compound ID | 4MzTfdSCq7m |
|---|---|
| InChI | InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-21-27(5)12-11-22(32)26(3,4)24(27)20(31)16-29(21,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19?,20+,21?,22?,23?,24?,27?,28+,29?,30?/m0/s1 |
| InChIKey | UQZGKHIMQWTYSP-MLBDGYPKSA-N |
| Mol Weight | 472.7 g/mol |
| Molecular Formula | C30H48O4 |
| Exact Mass | 472.35526 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2kjmWaj3wP6 |
|---|---|
| Name | 6-.beta.-Hydroxybetulinic Acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O4 |
| InChI | InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-21-27(5)12-11-22(32)26(3,4)24(27)20(31)16-29(21,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19?,20+,21?,22?,23?,24?,27?,28+,29?,30?/m0/s1 |
| InChIKey | UQZGKHIMQWTYSP-MLBDGYPKSA-N |
| Molecular Weight | 472.710 g/mol |
| SMILES | OC(C12CC[C@](C2C2[C@](C3(C[C@](C4C(C(CCC4(C3CC2)C)O)(C)C)(O)[H])C)(CC1)C)(C(=C)C)[H])=O |
| SPLASH | splash10-0ul9-0970100000-2da0c294615c032aed42 |
| Source of Spectrum | G4-59-299-2 |
| Wiley ID | 1606204 |