| Properties | Image |
|---|
| MNX_ID | MNXM56651 |
 |
| reference | lipidmapsM:LMST01080051 |
| formula | C27H44O5 |
| global charge | 0 |
| mol weight | 448.644 |
| InChIKey | GDFVLFBHNREYBP-QTMMKWCYSA-N |
| InChI | InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21+,22+,23+,24+,25-,26+,27+/m1/s1 |
| SMILES | C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C)[C@@H](O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21+,22+,23+,24+,25-,26+,27+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:14]1[CH2:9][C@H:23]([OH:30])[C@@:27]2([C@@H:15]([CH3:2])[C@H:24]3[C@H:22]([CH2:12][C@H:19]4[C@@H:17]5[CH2:11][C@H:21]([OH:29])[C@H:20]6[CH2:10][C@@H:16]([OH:28])[CH2:5][CH2:7][C@:25]6([CH3:3])[C@H:18]5[CH2:6][CH2:8][C@@:26]43[CH3:4])[O:32]2)[O:31][CH2:13]1 |
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