| SpectraBase Spectrum ID |
440x1jeeTg |
| Name |
O-(p-Nitrobenzoyl)-epi-trans-vitamin D[3] |
| Alternate Name(s) |
O-(p-Nitrobenzoyl)-epi-vitamin D[3]
O-(p-Nitrobenzoyl)-vitamin D[3]
(3S,5Z,7E)-9,10-secocholesta-5,7,10-trien-3-yl 4-nitrobenzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H47NO4 |
| InChI |
InChI=1S/C34H47NO4/c1-23(2)8-6-9-25(4)31-19-20-32-26(10-7-21-34(31,32)5)12-13-28-22-30(18-11-24(28)3)39-33(36)27-14-16-29(17-15-27)35(37)38/h12-17,23,25,30-32H,3,6-11,18-22H2,1-2,4-5H3/b26-12+,28-13-/t25-,30+,31-,32?,34-/m1/s1 |
| InChIKey |
RUYFLIRJKYFJGC-TZGQVTEVSA-N |
| Molecular Weight |
533.753 g/mol |
| SMILES |
[C@]12(C(\C(=C\C=C/3C(CC[C@](OC(c4ccc(N(=O)=O)cc4)=O)(C3)[H])=C)CCC1)CC[C@@]2([C@@](CCCC(C)C)(C)[H])[H])C |
| SPLASH |
splash10-066r-0904020000-17349050d573e6c54513 |
| Source of Spectrum |
BS-5-169-0 |
| Wiley ID |
1403733 |
