| Properties | Image |
|---|
| MNX_ID | MNXM58276 |
 |
| reference | lipidmapsM:LMST01080032 |
| formula | C27H44O4 |
| global charge | 0 |
| mol weight | 432.645 |
| InChIKey | NCLLSOCDVMFDSK-XSSAKHEISA-N |
| InChI | InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| SMILES | C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)13-21-19-6-5-17-11-18(28)12-23(29)26(17,4)20(19)8-9-25(21,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]1[CH2:7][CH2:10][C@@:27]2([C@@H:16]([CH3:2])[C@H:24]3[C@H:22]([CH2:13][C@H:21]4[C@@H:19]5[CH2:6][CH2:5][C@@H:17]6[CH2:11][C@@H:18]([OH:28])[CH2:12][C@@H:23]([OH:29])[C@:26]6([CH3:4])[C@H:20]5[CH2:8][CH2:9][C@@:25]43[CH3:3])[O:31]2)[O:30][CH2:14]1 |
|