| Properties | Image |
|---|
| MNX_ID | MNXM1131882 |
 |
| reference | lipidmapsM:LMST01031161 |
| formula | C28H46O3 |
| global charge | 0 |
| mol weight | 430.673 |
| InChIKey | FGUXDKNFOGAADF-IHICZWASSA-N |
| InChI | InChI=1S/C28H46O3/c1-16(2)18(4)25(30)15-17(3)20-9-10-21-19-7-8-23-26(31)24(29)12-14-28(23,6)22(19)11-13-27(20,21)5/h8,16-22,24,26,29,31H,7,9-15H2,1-6H3/t17-,18+,19+,20-,21+,22+,24+,26-,27-,28-/m1/s1 |
| SMILES | CC(C)[C@H](C)C(=O)C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H46O3/c1-16(2)18(4)25(30)15-17(3)20-9-10-21-19-7-8-23-26(31)24(29)12-14-28(23,6)22(19)11-13-27(20,21)5/h8,16-22,24,26,29,31H,7,9-15H2,1-6H3/t17-,18+,19+,20-,21+,22+,24+,26-,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[C@H:18]([CH3:4])[C:25]([CH2:15][C@@H:17]([CH3:3])[C@H:20]1[CH2:9][CH2:10][C@H:21]2[C@@H:19]3[CH2:7][CH:8]=[C:23]4[C@@H:26]([OH:31])[C@@H:24]([OH:29])[CH2:12][CH2:14][C@:28]4([CH3:6])[C@H:22]3[CH2:11][CH2:13][C@:27]12[CH3:5])=[O:30] |
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