| SpectraBase Compound ID | Ghj2tx2LnsJ |
|---|---|
| InChI | InChI=1S/C29H50O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h8,19-21,23-27,30-31H,6-7,9-18H2,1-5H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | YDSFEUUIRGMNGH-VJSFXXLFSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C29H50O2 |
| Exact Mass | 430.381081 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4XUICXQQm8k |
|---|---|
| Name | (24R)-Stigmast-5-ene-3.beta.,29-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 430.381080848 u |
| Formula | C29H50O2 |
| InChI | InChI=1S/C29H50O2/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h8,19-21,23-27,30-31H,6-7,9-18H2,1-5H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey | YDSFEUUIRGMNGH-VJSFXXLFSA-N |
| Molecular Weight | 430.717 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](CC[C@@](C(C)C)(CCO)[H])(C)[H])[H])[H])C |