| SpectraBase Spectrum ID |
GO8ShNDYxyH |
| Name |
epivitamin D(2) p-nitrobenzoate |
| CAS Registry Number |
116559-87-6 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C35H47NO4 |
| InChI |
InChI=1S/C35H47NO4/c1-23(2)24(3)9-10-26(5)32-19-20-33-27(8-7-21-35(32,33)6)12-13-29-22-31(18-11-25(29)4)40-34(37)28-14-16-30(17-15-28)36(38)39/h9-10,12-17,23-24,26,31-33H,4,7-8,11,18-22H2,1-3,5-6H3/b10-9+,27-12+,29-13-/t24-,26+,31-,32+,33-,35+/m0/s1 |
| InChIKey |
HDJLCVFFYGOSJQ-LPURHEIGSA-N |
| Molecular Weight |
545.764 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@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])[H])C |
| SPLASH |
splash10-004j-0039050000-62f01a9a519f038dda18 |
| Source of Spectrum |
J-53-6098-2 |
| Synonyms |
(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-yl 4-nitrobenzoate |
| Wiley ID |
1405169 |
