| Properties | Image |
|---|
| MNX_ID | MNXM1131932 |
 |
| reference | lipidmapsM:LMST01080095 |
| formula | C27H42O5 |
| global charge | 0 |
| mol weight | 446.628 |
| InChIKey | SQTYSHWHBHLUME-ROYKOVQBSA-N |
| InChI | InChI=1S/C27H42O5/c1-15-7-10-26(31-14-15)16(2)27(30)23(32-26)13-21-19-6-5-17-11-18(28)8-9-24(17,3)20(19)12-22(29)25(21,27)4/h15-17,19-23,29-30H,5-14H2,1-4H3/t15-,16-,17-,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]5CC(=O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@@]1(O)[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C27H42O5/c1-15-7-10-26(31-14-15)16(2)27(30)23(32-26)13-21-19-6-5-17-11-18(28)8-9-24(17,3)20(19)12-22(29)25(21,27)4/h15-17,19-23,29-30H,5-14H2,1-4H3/t15-,16-,17-,19-,20+,21+,22-,23+,24+,25-,26-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]1[CH2:7][CH2:10][C@@:26]2([C@@H:16]([CH3:2])[C@@:27]3([OH:30])[C@H:23]([CH2:13][C@H:21]4[C@@H:19]5[CH2:6][CH2:5][C@@H:17]6[CH2:11][C:18](=[O:28])[CH2:8][CH2:9][C@:24]6([CH3:3])[C@H:20]5[CH2:12][C@@H:22]([OH:29])[C@@:25]43[CH3:4])[O:32]2)[O:31][CH2:14]1 |
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