| Properties | Image |
|---|
| MNX_ID | MNXM30680 |
 |
| reference | lipidmapsM:LMST03020194 |
| formula | C27H42O5 |
| global charge | 0 |
| mol weight | 446.628 |
| InChIKey | ARRIBDAUGOLZSJ-GWHUNVOHSA-N |
| InChI | InChI=1S/C27H42O5/c1-16(13-24(30)25(31)26(3,4)32)21-10-11-22-18(7-6-12-27(21,22)5)8-9-19-14-20(28)15-23(29)17(19)2/h8-9,16,20-24,28-30,32H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-,27-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@@H](O)C(=O)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H42O5/c1-16(13-24(30)25(31)26(3,4)32)21-10-11-22-18(7-6-12-27(21,22)5)8-9-19-14-20(28)15-23(29)17(19)2/h8-9,16,20-24,28-30,32H,2,6-7,10-15H2,1,3-5H3/b18-8+,19-9-/t16-,20-,21-,22+,23+,24-,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]([CH2:13][C@H:24]([C:25]([C:26]([CH3:3])([CH3:4])[OH:32])=[O:31])[OH:30])[C@H:21]1[CH2:10][CH2:11][C@H:22]2/[C:18](=[CH:8]/[CH:9]=[C:19]3/[CH2:14][C@@H:20]([OH:28])[CH2:15][C@H:23]([OH:29])[C:17]3=[CH2:2])[CH2:7][CH2:6][CH2:12][C@:27]12[CH3:5] |
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