| SpectraBase Compound ID | CToqNe8P2kn |
|---|---|
| InChI | InChI=1S/C43H56O3/c1-30(37-23-24-38-36-22-21-34-28-35(44)25-26-41(34,2)39(36)29-40(45)42(37,38)3)14-13-27-46-43(31-15-7-4-8-16-31,32-17-9-5-10-18-32)33-19-11-6-12-20-33/h4-12,15-20,30,34-40,44-45H,13-14,21-29H2,1-3H3/t30-,34-,35-,36?,37-,38?,39?,40+,41+,42-/m1/s1 |
| InChIKey | SBPUTWLXVCMMEJ-BTBNMEBMSA-N |
| Mol Weight | 620.9 g/mol |
| Molecular Formula | C43H56O3 |
| Exact Mass | 620.422946 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3HAxEwqVumZ |
|---|---|
| Name | 3.alpha.,12.alpha.-Dihydroxy-5.beta.-cholan-24-oxytriphenylmethane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H56O3 |
| InChI | InChI=1S/C43H56O3/c1-30(37-23-24-38-36-22-21-34-28-35(44)25-26-41(34,2)39(36)29-40(45)42(37,38)3)14-13-27-46-43(31-15-7-4-8-16-31,32-17-9-5-10-18-32)33-19-11-6-12-20-33/h4-12,15-20,30,34-40,44-45H,13-14,21-29H2,1-3H3/t30-,34-,35-,36?,37-,38?,39?,40+,41+,42-/m1/s1 |
| InChIKey | SBPUTWLXVCMMEJ-BTBNMEBMSA-N |
| Molecular Weight | 620.918 g/mol |
| SMILES | O[C@]1(CC2[C@]3(CC[C@](C[C@]3(CCC2C2[C@]1([C@](CC2)([C@@](CCCOC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)[H])[H])C)[H])(O)[H])C)[H] |
| SPLASH | splash10-0006-0090000000-10b142c297faddbe6fe4 |
| Source of Spectrum | C-121-6649-11 |
| Wiley ID | 1700249 |