| SpectraBase Compound ID | 6DVk7r43Xe5 |
|---|---|
| InChI | InChI=1S/C30H52O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-24,31-33H,8-18H2,1-7H3/t19-,20-,21+,22+,23+,24?,27-,28+,29-,30+/m1/s1 |
| InChIKey | BKRIPHYESIGPJC-SOEWQUOTSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C30H52O3 |
| Exact Mass | 460.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IBls6LabJhz |
|---|---|
| Name | Cycloartane-3.beta.,24-25-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H52O3 |
| InChI | InChI=1S/C30H52O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-24,31-33H,8-18H2,1-7H3/t19-,20-,21+,22+,23+,24?,27-,28+,29-,30+/m1/s1 |
| InChIKey | BKRIPHYESIGPJC-SOEWQUOTSA-N |
| Instrument Name | Kratos MS25RF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np060046r |
| Molecular Weight | 460.743 g/mol |
| Optical Rotation | [a]D25 = +4.5 (c = 0.4, CHCl3) |
| SMILES | OC(C(O)(C)C)CC[C@]([C@@]1([C@]2(CC[C@@]34[C@@](CC[C@@]5([C@@]4(CC[C@@](C5(C)C)(O)[H])C3)[H])([C@@]2(CC1)C)[H])C)[H])(C)[H] |
| SPLASH | splash10-054n-7902200000-1e18b6b05985c96ca54f |
| Source of Spectrum | G4-69-SM5-5-1 |
| Wiley ID | 1874185 |