| Properties | Image |
|---|
| MNX_ID | MNXM22687 |
 |
| reference | lipidmapsM:LMST04030098 |
| formula | C27H48O4 |
| global charge | 0 |
| mol weight | 436.677 |
| InChIKey | NTIXPPFPXLYJCT-ATDFMCHNSA-N |
| InChI | InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17+,18-,19-,20+,21+,22+,23+,24+,26+,27-/m1/s1 |
| SMILES | C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17+,18-,19-,20+,21+,22+,23+,24+,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]([CH2:7][CH2:6][CH2:11][C:25]([CH3:2])([CH3:3])[OH:31])[C@H:19]1[CH2:8][CH2:9][C@H:20]2[C@H:24]3[C@H:21]([CH2:15][C@H:23]([OH:30])[C@:27]12[CH3:5])[C@@:26]1([CH3:4])[CH2:12][CH2:10][C@@H:18]([OH:28])[CH2:13][C@H:17]1[CH2:14][C@@H:22]3[OH:29] |
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