| SpectraBase Compound ID | 8DBGGL4PfvG |
|---|---|
| InChI | InChI=1S/C37H52O8/c1-20(2)22-11-14-36(32(43)44)15-16-37(19-38)23(29(22)36)8-10-28-34(5)18-26(41)30(33(3,4)27(34)12-13-35(28,37)6)45-31(42)21-7-9-24(39)25(40)17-21/h7-9,17,20,22,26-30,38-41H,10-16,18-19H2,1-6H3,(H,43,44)/t22-,26+,27?,28?,29?,30-,34+,35?,36?,37-/m0/s1 |
| InChIKey | XUYTZEQDUDRAON-UHLUYNTJSA-N |
| Mol Weight | 624.8 g/mol |
| Molecular Formula | C37H52O8 |
| Exact Mass | 624.366219 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JEJHJEpuou9 |
|---|---|
| Name | 2.alpha.,3.beta.,27-Trihydroxylup-12-en-28-oic Acid - 3'-(3",4"-Dihydroxybenzoyl) Ester |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H52O8 |
| InChI | InChI=1S/C37H52O8/c1-20(2)22-11-14-36(32(43)44)15-16-37(19-38)23(29(22)36)8-10-28-34(5)18-26(41)30(33(3,4)27(34)12-13-35(28,37)6)45-31(42)21-7-9-24(39)25(40)17-21/h7-9,17,20,22,26-30,38-41H,10-16,18-19H2,1-6H3,(H,43,44)/t22-,26+,27?,28?,29?,30-,34+,35?,36?,37-/m0/s1 |
| InChIKey | XUYTZEQDUDRAON-UHLUYNTJSA-N |
| Molecular Weight | 624.815 g/mol |
| SMILES | Oc1cc(C(O[C@]2([C@@](C[C@@]3(C(C2(C)C)CCC2([C@]4(C(=CCC32)C2C(CC4)(CC[C@]2(C(C)C)[H])C(=O)O)CO)C)C)(O)[H])[H])=O)ccc1O |
| SPLASH | splash10-0a4l-9611000000-5b7b7d8823f8c0d3a0d2 |
| Source of Spectrum | G4-59-300-4 |
| Wiley ID | 1606202 |