| Properties | Image |
|---|
| MNX_ID | MNXM164347 |
 |
| reference | biggM:CE5986 |
| formula | C28H47NO4 |
| global charge | 0 |
| mol weight | 461.687 |
| InChIKey | CVEXLLWUKIIJNZ-YHGPEZAFSA-N |
| InChI | InChI=1S/C28H47NO4/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-28(7)18-16-24-25(29(31)32)26(30)22(5)23(6)27(24)33-28/h19-21,30H,8-18H2,1-7H3/t20-,21-,28+/m0/s1 |
| SMILES | CC1=C(C)C2=C(CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2)C([N+](=O)[O-])=C1O |
MNX internals
| InChI (mnx) | InChI=1/C28H47NO4/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-17-28(7)18-16-24-25(29(31)32)26(30)22(5)23(6)27(24)33-28/h19-21,30H,8-18H2,1-7H3/t20-,21-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[CH2:11][CH2:8][CH2:12][C@H:20]([CH3:3])[CH2:13][CH2:9][CH2:14][C@H:21]([CH3:4])[CH2:15][CH2:10][CH2:17][C@:28]1([CH3:7])[CH2:18][CH2:16][C:24]2=[C:25]([N+:29]([O-:31])=[O:32])[C:26]([OH:30])=[C:22]([CH3:5])[C:23]([CH3:6])=[C:27]2[O:33]1 |
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