| SpectraBase Compound ID | CV5S6sqQmS3 |
|---|---|
| InChI | InChI=1S/C33H58O3Si/c1-23-13-16-28(36-37(9,10)31(3,4)5)21-25(23)14-15-26-20-27(34)22-33(8)29(17-18-30(26)33)24(2)12-11-19-32(6,7)35/h14-15,24,27-30,34-35H,1,11-13,16-22H2,2-10H3/b25-14-,26-15+/t24-,27+,28+,29-,30+,33-/m1/s1 |
| InChIKey | JPFHSKNMNNQPOU-AEJVPCTMSA-N |
| Mol Weight | 530.9 g/mol |
| Molecular Formula | C33H58O3Si |
| Exact Mass | 530.415522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mKVPgdwvoF |
|---|---|
| Name | (5Z,7E)-(3S)-3-(Tert-butyldimethylsiloxy)-9,10-secocholesta-5,7,10(19)-trien-11.alpha.,25-diol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 530.415522260 u |
| Formula | C33H58O3Si |
| InChI | InChI=1S/C33H58O3Si/c1-23-13-16-28(36-37(9,10)31(3,4)5)21-25(23)14-15-26-20-27(34)22-33(8)29(17-18-30(26)33)24(2)12-11-19-32(6,7)35/h14-15,24,27-30,34-35H,1,11-13,16-22H2,2-10H3/b25-14-,26-15+/t24-,27+,28+,29-,30+,33-/m1/s1 |
| InChIKey | JPFHSKNMNNQPOU-AEJVPCTMSA-N |
| Molecular Weight | 530.909 g/mol |
| SMILES | [C@]12([C@](\C(=C\C=C/3C(CC[C@](O[Si](C(C)(C)C)(C)C)(C3)[H])=C)C[C@@](C1)(O)[H])(CC[C@@]2([C@@](CCCC(O)(C)C)(C)[H])[H])[H])C |