| SpectraBase Compound ID | CnJegXsNHgV |
|---|---|
| InChI | InChI=1S/C39H53NO5/c1-22(25(4)37(42)40-36(38(43)45-8)27-11-13-28(44-7)14-12-27)9-10-23(2)29-15-16-31-30-17-18-32-26(5)34(41)19-20-39(32,6)33(30)21-24(3)35(29)31/h11-14,21-23,26,29,32,34,36,41H,4,9-10,15-20H2,1-3,5-8H3,(H,40,42)/t22?,23?,26-,29?,32?,34-,36?,39-/m0/s1 |
| InChIKey | FYBPZNYUERBUMM-POVPXCAYSA-N |
| Mol Weight | 615.9 g/mol |
| Molecular Formula | C39H53NO5 |
| Exact Mass | 615.392374 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L6ualLVom1H |
|---|---|
| Name | Sterol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C39H53NO5 |
| InChI | InChI=1S/C39H53NO5/c1-22(25(4)37(42)40-36(38(43)45-8)27-11-13-28(44-7)14-12-27)9-10-23(2)29-15-16-31-30-17-18-32-26(5)34(41)19-20-39(32,6)33(30)21-24(3)35(29)31/h11-14,21-23,26,29,32,34,36,41H,4,9-10,15-20H2,1-3,5-8H3,(H,40,42)/t22?,23?,26-,29?,32?,34-,36?,39-/m0/s1 |
| InChIKey | FYBPZNYUERBUMM-POVPXCAYSA-N |
| Molecular Weight | 615.855 g/mol |
| SMILES | N(C(C(C(CCC(C1CCc2c3c([C@]4(CC[C@@]([C@](C4CC3)(C)[H])(O)[H])C)cc(c12)C)C)C)=C)=O)C(C(=O)OC)c1ccc(cc1)OC |
| SPLASH | splash10-001i-0690001000-4090fc5aa89f9730abb6 |
| Source of Spectrum | G4-59-385-17 |
| Wiley ID | 1606278 |