| SpectraBase Compound ID | 4GDQsgOj3Yu |
|---|---|
| InChI | InChI=1S/C28H45ClO/c1-18(2)19(3)7-8-20(4)23-11-12-24-22-10-9-21-17-28(29,30)16-15-26(21,5)25(22)13-14-27(23,24)6/h7-9,18-20,22-25,30H,10-17H2,1-6H3/b8-7+/t19-,20-,22+,23-,24+,25+,26+,27-,28-/m1/s1 |
| InChIKey | QHDKFKDIMIHBFX-AIOBUMKYSA-N |
| Mol Weight | 433.1 g/mol |
| Molecular Formula | C28H45ClO |
| Exact Mass | 432.315894 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kwp4tUPVjyB |
|---|---|
| Name | (22E)-3b-chloro-brassicasterol |
| Alternate Name(s) | (22E)-3b-chlorocrinosterol (3beta,22E,24S)-3-chloroergosta-5,22-dien-3-ol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H45ClO |
| InChI | InChI=1S/C28H45ClO/c1-18(2)19(3)7-8-20(4)23-11-12-24-22-10-9-21-17-28(29,30)16-15-26(21,5)25(22)13-14-27(23,24)6/h7-9,18-20,22-25,30H,10-17H2,1-6H3/b8-7+/t19-,20-,22+,23-,24+,25+,26+,27-,28-/m1/s1 |
| InChIKey | QHDKFKDIMIHBFX-AIOBUMKYSA-N |
| Molecular Weight | 433.120 g/mol |
| SMILES | O[C@@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](\C=C\[C@](C(C)C)(C)[H])(C)[H])[H])[H])C)[H])C)Cl |
| SPLASH | splash10-014i-9742200000-67acd2e5d8560bebe7c9 |
| Source of Spectrum | SD-1992-0-0 |
| Wiley ID | 1382491 |