| SpectraBase Compound ID | 6W0sFRd6lby |
|---|---|
| InChI | InChI=1S/C36H53NO4/c1-7-25(23(2)3)9-8-24(4)31-16-17-32-30-15-12-27-22-29(18-20-35(27,5)33(30)19-21-36(31,32)6)41-34(38)26-10-13-28(14-11-26)37(39)40/h10-14,23-25,29-33H,7-9,15-22H2,1-6H3/t24-,25-,29+,30+,31-,32+,33+,35+,36-/m1/s1 |
| InChIKey | HMYUGRVPBNMEHK-JJTLJXPHSA-N |
| Mol Weight | 563.8 g/mol |
| Molecular Formula | C36H53NO4 |
| Exact Mass | 563.397459 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 17lV6FTtDjG |
|---|---|
| Name | .beta.-Sitosterol 4-Nitrobenzoate dev |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H53NO4 |
| InChI | InChI=1S/C36H53NO4/c1-7-25(23(2)3)9-8-24(4)31-16-17-32-30-15-12-27-22-29(18-20-35(27,5)33(30)19-21-36(31,32)6)41-34(38)26-10-13-28(14-11-26)37(39)40/h10-14,23-25,29-33H,7-9,15-22H2,1-6H3/t24-,25-,29+,30+,31-,32+,33+,35+,36-/m1/s1 |
| InChIKey | HMYUGRVPBNMEHK-JJTLJXPHSA-N |
| Molecular Weight | 563.823 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(c2ccc(N(=O)=O)cc2)=O)(C4)[H])C)[H])(CC[C@@]1([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])[H])[H])C |
| SPLASH | splash10-053r-0059000000-b66c54b3a4c2beeccf28 |
| Source of Spectrum | QA-44-398-4 |
| Synonyms | (3beta)-stigmast-5-en-3-yl 4-nitrobenzoate |
| Wiley ID | 862673 |