| Properties | Image |
|---|
| MNX_ID | MNXM1131878 |
 |
| reference | lipidmapsM:LMST01031157 |
| formula | C28H44O5 |
| global charge | 0 |
| mol weight | 460.655 |
| InChIKey | FJQJWURRCQWXRQ-GEPFKGMXSA-N |
| InChI | InChI=1S/C28H44O5/c1-17(7-8-18(2)24(3,4)31)20-11-14-27(32)22-15-23(30)28(33)16-19(29)9-12-26(28,6)21(22)10-13-25(20,27)5/h7-8,10,15,17-20,23,29-33H,9,11-14,16H2,1-6H3/b8-7+/t17-,18+,19+,20-,23-,25-,26-,27-,28+/m1/s1 |
| SMILES | C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@]2(O)C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H44O5/c1-17(7-8-18(2)24(3,4)31)20-11-14-27(32)22-15-23(30)28(33)16-19(29)9-12-26(28,6)21(22)10-13-25(20,27)5/h7-8,10,15,17-20,23,29-33H,9,11-14,16H2,1-6H3/b8-7+/t17-,18+,19+,20-,23-,25-,26-,27-,28+/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:17](/[CH:7]=[CH:8]/[C@H:18]([CH3:2])[C:24]([CH3:3])([CH3:4])[OH:31])[C@H:20]1[CH2:11][CH2:14][C@@:27]2([OH:32])[C:22]3=[CH:15][C@@H:23]([OH:30])[C@@:28]4([OH:33])[CH2:16][C@@H:19]([OH:29])[CH2:9][CH2:12][C@:26]4([CH3:6])[C:21]3=[CH:10][CH2:13][C@:25]12[CH3:5] |
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