| SpectraBase Compound ID | 5SdVGeJKCJ7 |
|---|---|
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h6,8-9,17-18,20-25,28-29H,7,10-16H2,1-5H3/b8-6+/t18-,20-,21+,22-,23+,24+,25+,26-,27+/m1/s1 |
| InChIKey | FFZZZCRRBHRJPG-INSJUBHMSA-N |
| Mol Weight | 400.6 g/mol |
| Molecular Formula | C27H44O2 |
| Exact Mass | 400.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | m4npkg3y6q |
|---|---|
| Name | Cholesta-5,22-diene-1,3-diol, (1.alpha.,3.beta.,22Z)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.334130655 u |
| Formula | C27H44O2 |
| InChI | InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h6,8-9,17-18,20-25,28-29H,7,10-16H2,1-5H3/b8-6+/t18-,20-,21+,22-,23+,24+,25+,26-,27+/m1/s1 |
| InChIKey | FFZZZCRRBHRJPG-INSJUBHMSA-N |
| Molecular Weight | 400.647 g/mol |
| SMILES | [C@]12(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](\C=C\CC(C)C)(C)[H])[H])[H])[H])C[C@](C[C@@]1(O)[H])(O)[H])C |