| Properties | Image |
|---|
| MNX_ID | MNXM30637 |
 |
| reference | lipidmapsM:LMST03020438 |
| formula | C29H48O4 |
| global charge | 0 |
| mol weight | 460.699 |
| InChIKey | MVNLCPMPCIRHIH-JJXUSXGVSA-N |
| InChI | InChI=1S/C29H48O4/c1-6-29(33,7-2)16-14-26(31)20(4)24-12-13-25-21(9-8-15-28(24,25)5)10-11-22-17-23(30)18-27(32)19(22)3/h10-11,20,23-27,30-33H,3,6-9,12-18H2,1-2,4-5H3/b21-10+,22-11-/t20-,23-,24-,25+,26-,27+,28-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)[C@H](O)CCC(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C29H48O4/c1-6-29(33,7-2)16-14-26(31)20(4)24-12-13-25-21(9-8-15-28(24,25)5)10-11-22-17-23(30)18-27(32)19(22)3/h10-11,20,23-27,30-33H,3,6-9,12-18H2,1-2,4-5H3/b21-10+,22-11-/t20-,23-,24-,25+,26-,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:6][C:29]([CH2:7][CH3:2])([CH2:16][CH2:14][C@H:26]([C@H:20]([CH3:4])[C@H:24]1[CH2:12][CH2:13][C@H:25]2/[C:21](=[CH:10]/[CH:11]=[C:22]3/[CH2:17][C@@H:23]([OH:30])[CH2:18][C@H:27]([OH:32])[C:19]3=[CH2:3])[CH2:9][CH2:8][CH2:15][C@:28]12[CH3:5])[OH:31])[OH:33] |
|