| SpectraBase Compound ID | DIg5eWdwVLa |
|---|---|
| InChI | InChI=1S/C40H53O4P/c1-29(2)30(3)19-20-32(5)38-25-26-39-33(14-13-27-40(38,39)6)22-23-34-28-37(24-21-31(34)4)44-45(41,42-35-15-9-7-10-16-35)43-36-17-11-8-12-18-36/h7-12,15-20,22-23,29-30,32,37-39H,4,13-14,21,24-28H2,1-3,5-6H3/b20-19+,33-22+,34-23-/t30-,32+,37?,38+,39?,40+/m0/s1 |
| InChIKey | YCJSQIQFKGECQT-KTIPHZQCSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C40H53O4P |
| Exact Mass | 628.368147 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9HmoDdSZRUn |
|---|---|
| Name | Ergocalciferol diphenyl phosphate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H53O4P |
| InChI | InChI=1S/C40H53O4P/c1-29(2)30(3)19-20-32(5)38-25-26-39-33(14-13-27-40(38,39)6)22-23-34-28-37(24-21-31(34)4)44-45(41,42-35-15-9-7-10-16-35)43-36-17-11-8-12-18-36/h7-12,15-20,22-23,29-30,32,37-39H,4,13-14,21,24-28H2,1-3,5-6H3/b20-19+,33-22+,34-23-/t30-,32+,37?,38+,39?,40+/m0/s1 |
| InChIKey | YCJSQIQFKGECQT-KTIPHZQCSA-N |
| Molecular Weight | 628.834 g/mol |
| SMILES | C1(OP(Oc2ccccc2)(Oc2ccccc2)=O)C\C(=C\C=C\2C3[C@]([C@@]([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])(CC3)[H])(C)CCC2)C(CC1)=C |
| SPLASH | splash10-004i-0039000000-91d48bf4b1d540f702df |
| Source of Spectrum | F-68-5215-20 |
| Synonyms | diphenyl (5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-yl phosphate |
| Wiley ID | 1572880 |