| SpectraBase Compound ID | kXmvFdiOzs |
|---|---|
| InChI | InChI=1S/C32H56O2/c1-8-24(21(2)3)10-9-22(4)27-13-14-28-26-12-11-25-19-23(20-30(33)34-7)15-17-31(25,5)29(26)16-18-32(27,28)6/h21-29H,8-20H2,1-7H3/t22-,23?,24-,25+,26?,27-,28?,29+,31+,32-/m1/s1 |
| InChIKey | HHDWBISXIRYHOD-XNQJPRCRSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C32H56O2 |
| Exact Mass | 472.428031 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BDbC5hNDhN |
|---|---|
| Name | 3-(Acetic acid)-5.alpha.-stigmastane,methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 472.428031041 u |
| Formula | C32H56O2 |
| InChI | InChI=1S/C32H56O2/c1-8-24(21(2)3)10-9-22(4)27-13-14-28-26-12-11-25-19-23(20-30(33)34-7)15-17-31(25,5)29(26)16-18-32(27,28)6/h21-29H,8-20H2,1-7H3/t22-,23?,24-,25+,26?,27-,28?,29+,31+,32-/m1/s1 |
| InChIKey | HHDWBISXIRYHOD-XNQJPRCRSA-N |
| Molecular Weight | 472.798 g/mol |
| SMILES | [C@@]12(C(C3CC[C@@]4([C@@]([C@]3(CC2)[H])(CCC(CC(=O)OC)C4)C)[H])CC[C@@]1([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])C |