| SpectraBase Compound ID | Lqjy7Oo8qEC |
|---|---|
| InChI | InChI=1S/C30H46O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9-10,14,20-21,24-25,31H,11-13,15-18H2,1-8H3/t20-,21+,24+,25-,28+,29+,30-/m0/s1 |
| InChIKey | UHHCPWWWCZXVHN-OKDLRWSNSA-N |
| Mol Weight | 438.7 g/mol |
| Molecular Formula | C30H46O2 |
| Exact Mass | 438.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BhUQ9JA0h3v |
|---|---|
| Name | 22R-Hydroxylanosta-7,9(11),24-trien-3-one |
| Appearance | Colorless needles |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H46O2 |
| InChI | InChI=1S/C30H46O2/c1-19(2)9-11-24(31)20(3)21-13-17-30(8)23-10-12-25-27(4,5)26(32)15-16-28(25,6)22(23)14-18-29(21,30)7/h9-10,14,20-21,24-25,31H,11-13,15-18H2,1-8H3/t20-,21+,24+,25-,28+,29+,30-/m0/s1 |
| InChIKey | UHHCPWWWCZXVHN-OKDLRWSNSA-N |
| Instrument Name | JEOL JMS AX-500 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np020301h |
| Molecular Weight | 438.696 g/mol |
| Optical Rotation | [a]D20 = +40.5 (c = 1.48, CHCl3) |
| Reported Formula | C30H46O2 |
| SMILES | O[C@@]([C@]([C@@]1([C@]2(CC=C3[C@]4(CCC(C([C@@]4(CC=C3[C@@]2(CC1)C)[H])(C)C)=O)C)C)[H])(C)[H])(CC=C(C)C)[H] |
| SPLASH | splash10-014i-9125200000-1501d81c69b68f4f0c23 |
| Source of Spectrum | G4-65-1873-4 |
| Wiley ID | 1883567 |