| SpectraBase Compound ID | K5XZ7SFyQmK |
|---|---|
| InChI | InChI=1S/C43H56O3/c1-30(36-21-22-37-40-38(24-26-42(36,37)3)41(2)25-23-35(44)28-34(41)29-39(40)45)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 | ZHOFGOZIVQFAHQ-MWGMAYMZSA-N |
| Mol Weight | 620.9 g/mol |
| Molecular Formula | C43H56O3 |
| Exact Mass | 620.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EWyn3EjGPL |
|---|---|
| Name | 3.alpha.,7.alpha.-Dihydroxy-5.beta.-cholan-24-oxytriphenylmethane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 620.422945660 u |
| Formula | C43H56O3 |
| InChI | InChI=1S/C43H56O3/c1-30(36-21-22-37-40-38(24-26-42(36,37)3)41(2)25-23-35(44)28-34(41)29-39(40)45)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 | ZHOFGOZIVQFAHQ-MWGMAYMZSA-N |
| Molecular Weight | 620.918 g/mol |
| SMILES | [C@@]12(C(C3[C@@](C[C@]4([C@@](C3CC2)(CC[C@@](O)(C4)[H])C)[H])(O)[H])CC[C@@]1([C@@](CCCOC(C=1C=CC=CC1)(C=1C=CC=CC1)C1=CC=CC=C1)(C)[H])[H])C |