| Properties | Image |
|---|
| MNX_ID | MNXM1131872 |
 |
| reference | lipidmapsM:LMST01031151 |
| formula | C28H46O5 |
| global charge | 0 |
| mol weight | 462.671 |
| InChIKey | DHZUJPSVEBKTKG-KLSGLDTHSA-N |
| InChI | InChI=1S/C28H46O5/c1-15(16(2)14-29)10-23(31)17(3)20-6-7-21-26-22(8-9-27(20,21)4)28(5)18(12-24(26)32)11-19(30)13-25(28)33/h12,17,19-26,29-33H,6-11,13-14H2,1-5H3/b16-15-/t17-,19+,20+,21-,22-,23+,24+,25-,26-,27+,28-/m0/s1 |
| SMILES | C/C(CO)=C(\C)C[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C28H46O5/c1-15(16(2)14-29)10-23(31)17(3)20-6-7-21-26-22(8-9-27(20,21)4)28(5)18(12-24(26)32)11-19(30)13-25(28)33/h12,17,19-26,29-33H,6-11,13-14H2,1-5H3/b16-15-/t17-,19+,20+,21-,22-,23+,24+,25-,26-,27+,28-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:15]([CH2:10][C@H:23]([C@@H:17]([CH3:3])[C@H:20]1[CH2:6][CH2:7][C@H:21]2[C@H:26]3[C@H:22]([CH2:8][CH2:9][C@:27]12[CH3:4])[C@:28]1([CH3:5])[C:18](=[CH:12][C@H:24]3[OH:32])[CH2:11][C@@H:19]([OH:30])[CH2:13][C@@H:25]1[OH:33])[OH:31])=[C:16](\[CH3:2])[CH2:14][OH:29] |
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