| SpectraBase Compound ID | Em1TLKFR30t |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 |
| InChIKey | XUARCIYIVXVTAE-ZAPOICBTSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L6DFS6CRDXc |
|---|---|
| Name | 3.beta.,28-Dihydroxy-urs-12-ene |
| Appearance | White, amorphous powder |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1 |
| InChIKey | XUARCIYIVXVTAE-ZAPOICBTSA-N |
| Instrument Name | JEOL JMS-SX/SX 102A or Quattro GC-MS |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np060369n |
| Molecular Weight | 442.728 g/mol |
| Optical Rotation | [a]D23 = +45.5 (c = 0.11, MeOH) |
| SMILES | O[C@]1(CC[C@@]2([C@]3(CC=C4[C@]5([C@@](CO)(CC[C@]4([C@@]3(CC[C@]2(C1(C)C)[H])C)C)CC[C@]([C@@]5(C)[H])(C)[H])[H])[H])C)[H] |
| SPLASH | splash10-0ue9-0390100000-e49f166099e4a9293ecf |
| Source of Spectrum | G4-69-SM6-6 |
| Wiley ID | 1874003 |