| SpectraBase Compound ID | 6CXV09g7LhU |
|---|---|
| InChI | InChI=1S/C31H52O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-26,32-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,24+,25-,26+,29+,30-,31+/m0/s1 |
| InChIKey | PNEVHPUMSSFAQE-YGAWDCGASA-N |
| Mol Weight | 504.8 g/mol |
| Molecular Formula | C31H52O5 |
| Exact Mass | 504.381475 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LZrOI4vRaLZ |
|---|---|
| Name | 21,23-epoxy-21-.beta.-methoxy-17H-Lanost-7-ene-3,24,25-triol |
| Alternate Name(s) | (1S)-1-[(2R,4S,5R)-4-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methoxy-2-oxolanyl]-2-methylpropane-1,2-diol (1S)-1-[(2R,4S,5R)-4-[(3R,5R,9R,10R,13S,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-methoxyoxolan-2-yl]-2-methylpropane-1,2-diol (1S)-1-[(2R,4S,5R)-5-methoxy-4-[(3R,5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-yl]-2-methyl-propane-1,2-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O5 |
| InChI | InChI=1S/C31H52O5/c1-27(2)23-10-9-21-20(29(23,5)14-13-24(27)32)12-16-30(6)19(11-15-31(21,30)7)18-17-22(36-26(18)35-8)25(33)28(3,4)34/h9,18-20,22-26,32-34H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,24+,25-,26+,29+,30-,31+/m0/s1 |
| InChIKey | PNEVHPUMSSFAQE-YGAWDCGASA-N |
| Molecular Weight | 504.752 g/mol |
| SMILES | O[C@]1(C([C@]2([C@@]([C@@]3(C([C@@]4([C@]([C@]([C@@]5(C[C@]([C@@](C(O)(C)C)(O)[H])(O[C@]5(OC)[H])[H])[H])(CC4)[H])(CC3)C)C)=CC2)[H])(CC1)C)[H])(C)C)[H] |
| SPLASH | splash10-014i-1027900000-b0840e6f9c78d91002a0 |
| Source of Spectrum | E1-59-1006-4 |
| Wiley ID | 1705442 |