| Properties | Image |
|---|
| MNX_ID | MNXM30636 |
 |
| reference | lipidmapsM:LMST03020435 |
| formula | C29H48O4 |
| global charge | 0 |
| mol weight | 460.699 |
| InChIKey | NDBKWVZLZHGVSI-CPVFFCQCSA-N |
| InChI | InChI=1S/C29H48O4/c1-19-22(17-23(30)18-27(19)32)12-11-21-9-8-16-29(5)24(13-14-25(21)29)20(2)26(31)10-6-7-15-28(3,4)33/h11-12,20,23-27,30-33H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24-,25+,26-,27+,29-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)[C@H](O)CCCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H48O4/c1-19-22(17-23(30)18-27(19)32)12-11-21-9-8-16-29(5)24(13-14-25(21)29)20(2)26(31)10-6-7-15-28(3,4)33/h11-12,20,23-27,30-33H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23-,24-,25+,26-,27+,29-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:19]1/[C:22](=[CH:12]\[CH:11]=[C:21]2/[CH2:9][CH2:8][CH2:16][C@:29]3([CH3:5])[C@@H:24]([C@@H:20]([CH3:2])[C@@H:26]([CH2:10][CH2:6][CH2:7][CH2:15][C:28]([CH3:3])([CH3:4])[OH:33])[OH:31])[CH2:13][CH2:14][C@@H:25]23)[CH2:17][C@@H:23]([OH:30])[CH2:18][C@@H:27]1[OH:32] |
|