| SpectraBase Compound ID | DdN3uQzkZBX |
|---|---|
| InChI | InChI=1S/C39H58O2/c1-26(2)28-18-21-36(5)24-25-38(7)29(34(28)36)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-13,28-32,34H,1,14-25H2,2-8H3/t28?,29?,30?,31?,32-,34?,36?,37?,38+,39?/m0/s1 |
| InChIKey | BXSJJYBMAUOEPV-XBGJXZMUSA-N |
| Mol Weight | 558.9 g/mol |
| Molecular Formula | C39H58O2 |
| Exact Mass | 558.443681 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AWXVJESv57S |
|---|---|
| Name | 3.beta.-O-dihydrocinnamoyl-lupeol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H58O2 |
| InChI | InChI=1S/C39H58O2/c1-26(2)28-18-21-36(5)24-25-38(7)29(34(28)36)15-16-31-37(6)22-20-32(35(3,4)30(37)19-23-39(31,38)8)41-33(40)17-14-27-12-10-9-11-13-27/h9-13,28-32,34H,1,14-25H2,2-8H3/t28?,29?,30?,31?,32-,34?,36?,37?,38+,39?/m0/s1 |
| InChIKey | BXSJJYBMAUOEPV-XBGJXZMUSA-N |
| Molecular Weight | 558.891 g/mol |
| SMILES | [C@@]12(C3(C(C4(CC[C@@](C(C4CC3)(C)C)(OC(=O)CCc3ccccc3)[H])C)CCC1C1C(C(=C)C)CCC1(CC2)C)C)C |
| SPLASH | splash10-05mo-8900000000-885c0145c6844158142d |
| Source of Spectrum | D9-2-110-3 |
| Wiley ID | 1546174 |