| SpectraBase Compound ID | 6j7niU2ezMq |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-18(6-5-13-25(2,30)17-28)22-9-10-23-21-8-7-19-16-20(29)11-14-26(19,3)24(21)12-15-27(22,23)4/h7-8,18,20,22-24,28-30H,5-6,9-17H2,1-4H3/t18-,20+,22-,23+,24+,25?,26+,27-/m1/s1 |
| InChIKey | CALSSYGPFKAZAM-RAIGUFMCSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9TjSMBSHwgm |
|---|---|
| Name | Cholesta-5,7-diene-3,25,26-triol, (3.beta.)- |
| Alternate Name(s) | (3beta)-cholesta-5,7-diene-3,25,26-triol 5,7-Cholestadiene-3.beta.,25.XI.,26-triol Cholesta-5,7-diene-3.beta.,25.epsilon.,26-triol (6R)-6-[(3S,9S,10R,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-1,2-diol (6R)-6-[(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-3-oxidanyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptane-1,2-diol |
| CAS Registry Number | 53990-60-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-18(6-5-13-25(2,30)17-28)22-9-10-23-21-8-7-19-16-20(29)11-14-26(19,3)24(21)12-15-27(22,23)4/h7-8,18,20,22-24,28-30H,5-6,9-17H2,1-4H3/t18-,20+,22-,23+,24+,25?,26+,27-/m1/s1 |
| InChIKey | CALSSYGPFKAZAM-RAIGUFMCSA-N |
| Molecular Weight | 416.646 g/mol |
| SMILES | OC(CO)(CCC[C@]([C@@]1([C@@]2([C@](C=3[C@@]([C@]4(CC[C@@](CC4=CC3)(O)[H])C)(CC2)[H])(CC1)[H])C)[H])(C)[H])C |
| SPLASH | splash10-014i-0045900000-47f60ca1c25103e2ebfc |
| Source of Spectrum | KC-1976-734-0 |
| Wiley ID | 1376609 |