| Properties | Image |
|---|
| MNX_ID | MNXM25090 |
 |
| reference | lipidmapsM:LMST04030165 |
| formula | C27H46O3 |
| global charge | 0 |
| mol weight | 418.662 |
| InChIKey | PMXUHALEAGDHAV-PLQODDGESA-N |
| InChI | InChI=1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h14,16-17,19-25,28-30H,6-13,15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h14,16-17,19-25,28-30H,6-13,15H2,1-5H3/t17-,19+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:16]([CH3:2])[CH2:7][CH2:6][CH2:8][C@@H:17]([CH3:3])[C@H:20]1[CH2:9][CH2:10][C@H:21]2[C@H:25]3[C@H:22]([CH2:15][C@H:24]([OH:30])[C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:12][CH2:11][C@H:19]([OH:28])[CH2:13][C:18]1=[CH:14][C@H:23]3[OH:29] |
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