![L-2-[(Benzyloxycarbonyl)amino]-4-(chloesta-3,5-dien-3-yl)but-3-enyl acetate](/api/spectrum/6dMk3GpdbN8/structure.png?h=300&w=458 "L-2-[(Benzyloxycarbonyl)amino]-4-(chloesta-3,5-dien-3-yl)but-3-enyl acetate")
| SpectraBase Compound ID | B6arFsEWU3S |
|---|---|
| InChI | InChI=1S/C41H59NO4/c1-29(2)12-11-13-30(3)35-19-20-36-34-18-17-33-26-31(21-23-40(33,4)37(34)22-24-41(35,36)5)14-9-10-25-45-38(43)27-42-39(44)46-28-32-15-7-6-8-16-32/h6-9,14-17,26,29-30,34-37H,10-13,18-25,27-28H2,1-5H3,(H,42,44)/b14-9+/t30-,34?,35?,36?,37?,40+,41-/m1/s1 |
| InChIKey | VSWOITXOAHCYDX-HNQUOWTOSA-N |
| Mol Weight | 629.9 g/mol |
| Molecular Formula | C41H59NO4 |
| Exact Mass | 629.444409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6dMk3GpdbN8 |
|---|---|
| Name | L-2-[(Benzyloxycarbonyl)amino]-4-(chloesta-3,5-dien-3-yl)but-3-enyl acetate |
| Alternate Name(s) | (3E)-4-cholesta-3,5-dien-3-yl-3-butenyl {[(benzyloxy)carbonyl]amino}acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H59NO4 |
| InChI | InChI=1S/C41H59NO4/c1-29(2)12-11-13-30(3)35-19-20-36-34-18-17-33-26-31(21-23-40(33,4)37(34)22-24-41(35,36)5)14-9-10-25-45-38(43)27-42-39(44)46-28-32-15-7-6-8-16-32/h6-9,14-17,26,29-30,34-37H,10-13,18-25,27-28H2,1-5H3,(H,42,44)/b14-9+/t30-,34?,35?,36?,37?,40+,41-/m1/s1 |
| InChIKey | VSWOITXOAHCYDX-HNQUOWTOSA-N |
| Molecular Weight | 629.926 g/mol |
| SMILES | N(C(=O)OCc1ccccc1)CC(OCC\C=C\C=1CC[C@@]2(C3CC[C@]4(C(C3CC=C2C1)CCC4[C@@](CCCC(C)C)(C)[H])C)C)=O |
| SPLASH | splash10-0a4i-9100000000-b0ead2a50c14744400a4 |
| Source of Spectrum | F-48-3554-19 |
| Wiley ID | 1412060 |