| Properties | Image |
|---|
| MNX_ID | MNXM33944 |
 |
| reference | lipidmapsM:LMST03020532 |
| formula | C33H56O3 |
| global charge | 0 |
| mol weight | 500.808 |
| InChIKey | LRXRKNNUOLDWCL-WIEVNKIHSA-N |
| InChI | InChI=1S/C33H56O3/c1-22(12-10-19-33(36,30(3,4)5)31(6,7)8)27-16-17-28-24(13-11-18-32(27,28)9)14-15-25-20-26(34)21-29(35)23(25)2/h14-15,22,26-29,34-36H,2,10-13,16-21H2,1,3-9H3/b24-14+,25-15-/t22-,26-,27-,28+,29+,32-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(O)(C(C)(C)C)C(C)(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C33H56O3/c1-22(12-10-19-33(36,30(3,4)5)31(6,7)8)27-16-17-28-24(13-11-18-32(27,28)9)14-15-25-20-26(34)21-29(35)23(25)2/h14-15,22,26-29,34-36H,2,10-13,16-21H2,1,3-9H3/b24-14+,25-15-/t22-,26-,27-,28+,29+,32-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:22]([CH2:12][CH2:10][CH2:19][C:33]([C:30]([CH3:3])([CH3:4])[CH3:5])([C:31]([CH3:6])([CH3:7])[CH3:8])[OH:36])[C@H:27]1[CH2:16][CH2:17][C@H:28]2/[C:24](=[CH:14]/[CH:15]=[C:25]3/[CH2:20][C@@H:26]([OH:34])[CH2:21][C@H:29]([OH:35])[C:23]3=[CH2:2])[CH2:13][CH2:11][CH2:18][C@:32]12[CH3:9] |
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