| Properties | Image |
|---|
| MNX_ID | MNXM33884 |
 |
| reference | lipidmapsM:LMST03020529 |
| formula | C33H48O3 |
| global charge | 0 |
| mol weight | 492.744 |
| InChIKey | QSGFVSHXPKNUJN-GNOGHSAPSA-N |
| InChI | InChI=1S/C33H48O3/c1-22(10-9-17-32(3,4)36)29-15-16-30-26(14-13-25-19-28(34)20-31(35)23(25)2)18-27(21-33(29,30)5)24-11-7-6-8-12-24/h6-8,11-14,22,27-31,34-36H,2,9-10,15-21H2,1,3-5H3/b25-13-,26-14+/t22-,27-,28-,29-,30+,31+,33-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/C[C@@H](C3=CC=CC=C3)C[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H48O3/c1-22(10-9-17-32(3,4)36)29-15-16-30-26(14-13-25-19-28(34)20-31(35)23(25)2)18-27(21-33(29,30)5)24-11-7-6-8-12-24/h6-8,11-14,22,27-31,34-36H,2,9-10,15-21H2,1,3-5H3/b25-13-,26-14+/t22-,27-,28-,29-,30+,31+,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:22]([CH2:10][CH2:9][CH2:17][C:32]([CH3:3])([CH3:4])[OH:36])[C@H:29]1[CH2:15][CH2:16][C@H:30]2/[C:26](=[CH:14]/[CH:13]=[C:25]3/[CH2:19][C@@H:28]([OH:34])[CH2:20][C@H:31]([OH:35])[C:23]3=[CH2:2])[CH2:18][C@@H:27]([C:24]3=[CH:11][CH:7]=[CH:6][CH:8]=[CH:12]3)[CH2:21][C@:33]12[CH3:5] |
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