| SpectraBase Compound ID | 8LU13FPwDca |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20-,21+,22-,23+,26-,27-,28-,29-,30+/m1/s1 |
| InChIKey | JPGOJQJBPLCRQP-HUVCIBQSSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7wxVXMZgGqf |
|---|---|
| Name | Urs-12-en-28-oic acid, 3,6,19-trihydroxy-, (3.beta.,6.beta.)- |
| Alternate Name(s) | 3.beta.,6.beta.,19.alpha.-trihydroxy-urs-12-en-oic acid |
| CAS Registry Number | 123135-05-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-20-26(4)12-11-21(32)25(2,3)23(26)19(31)16-28(20,27)6/h8,17,19-23,31-32,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20-,21+,22-,23+,26-,27-,28-,29-,30+/m1/s1 |
| InChIKey | JPGOJQJBPLCRQP-HUVCIBQSSA-N |
| Molecular Weight | 488.709 g/mol |
| SMILES | O[C@]1([C@]2(C([C@](CC[C@@]2([C@@]2([C@]([C@]3(C([C@@]4([C@@]([C@@](CC[C@@]4(CC3)C(=O)O)(C)[H])(O)C)[H])=CC2)C)(C1)C)[H])C)(O)[H])(C)C)[H])[H] |
| SPLASH | splash10-0002-0790100000-d92c20f8d69ab26d1cf1 |
| Source of Spectrum | F-45-4131-1 |
| Wiley ID | 1396960 |