| SpectraBase Compound ID | CcvBG5tcnPY |
|---|---|
| InChI | InChI=1S/C37H52O7/c1-20(2)22-12-15-37(32(42)43)17-16-35(6)23(29(22)37)9-11-28-34(5)19-26(40)30(33(3,4)27(34)13-14-36(28,35)7)44-31(41)21-8-10-24(38)25(39)18-21/h8-10,18,20,22,26-30,38-40H,11-17,19H2,1-7H3,(H,42,43)/t22-,26+,27?,28?,29?,30-,34+,35+,36?,37?/m0/s1 |
| InChIKey | SICKXTCVEDRKSA-VUHDFMGLSA-N |
| Mol Weight | 608.8 g/mol |
| Molecular Formula | C37H52O7 |
| Exact Mass | 608.371304 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AjJWIFt7fLz |
|---|---|
| Name | 2.alpha.,3.beta.-Dihydroxylup-12-en-28-oic Acid - 3'-(3",4"-Dihydroxybenzoyl) Ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H52O7 |
| InChI | InChI=1S/C37H52O7/c1-20(2)22-12-15-37(32(42)43)17-16-35(6)23(29(22)37)9-11-28-34(5)19-26(40)30(33(3,4)27(34)13-14-36(28,35)7)44-31(41)21-8-10-24(38)25(39)18-21/h8-10,18,20,22,26-30,38-40H,11-17,19H2,1-7H3,(H,42,43)/t22-,26+,27?,28?,29?,30-,34+,35+,36?,37?/m0/s1 |
| InChIKey | SICKXTCVEDRKSA-VUHDFMGLSA-N |
| Molecular Weight | 608.816 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)C)C)C)(O)[H])[H])=O)ccc1O |
| SPLASH | splash10-0a4r-9451010000-7122d143db218fd6fe11 |
| Source of Spectrum | G4-59-299-3 |
| Wiley ID | 1606203 |