| SpectraBase Spectrum ID |
5zTiEdPfiFc |
| Name |
(1S,2R)-1-{(R)-5-[(E)-(S)-2-Methoxymethyl-pyrrolidin-1-ylimino]-2,2-dimethyl-[1,3]dioxan-4-yl}-2-phenylselanyl-pentadecan-1-ol |
| Alternate Name(s) |
(1S,2R)-1-((4R,5E)-5-{[(2S)-2-(methoxymethyl)pyrrolidinyl]imino}-2,2-dimethyl-1,3-dioxan-4-yl)-2-(phenylselanyl)-1-pentadecanol
(1S,2R/S,2''S,4'S)-1-[5-(2-Methoxymethylpyrrolidin-1-ylimino)-2,2-dimethyl-[1,3]dioxan-4-yl]-2-phenylselenylpentadecan-1-ol
(1S,2R/S,2''S,4'S)-1-[5-(2-Methoxymethylpyrrolidin-1-ylimino)-2,2-dimethyl-[1,3]dioxan-4-yl]-2-phenylselenylpentadecan-1-ol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H56N2O4Se |
| InChI |
InChI=1S/C33H56N2O4Se/c1-5-6-7-8-9-10-11-12-13-14-18-23-30(40-28-21-16-15-17-22-28)31(36)32-29(26-38-33(2,3)39-32)34-35-24-19-20-27(35)25-37-4/h15-17,21-22,27,30-32,36H,5-14,18-20,23-26H2,1-4H3/b34-29+/t27-,30+,31+,32+/m0/s1 |
| InChIKey |
MZHLXVLCHUNQAV-OJEMYFQXSA-N |
| Molecular Weight |
623.793 g/mol |
| SMILES |
O[C@@]([C@]1(\C(=N\N2[C@](COC)(CCC2)[H])COC(C)(C)O1)[H])([C@]([Se]c1ccccc1)(CCCCCCCCCCCCC)[H])[H] |
| SPLASH |
splash10-0aor-0000900000-676ed0d8c3a2156833d5 |
| Source of Spectrum |
QE-1-385-4 |
| Wiley ID |
842425 |
![(1S,2R)-1-{(R)-5-[(E)-(S)-2-Methoxymethyl-pyrrolidin-1-ylimino]-2,2-dimethyl-[1,3]dioxan-4-yl}-2-phenylselanyl-pentadecan-1-ol](/api/spectrum/5zTiEdPfiFc/structure.png?h=300&w=458 "(1S,2R)-1-{(R)-5-[(E)-(S)-2-Methoxymethyl-pyrrolidin-1-ylimino]-2,2-dimethyl-[1,3]dioxan-4-yl}-2-phenylselanyl-pentadecan-1-ol")
