| Properties | Image |
|---|
| MNX_ID | MNXM33943 |
 |
| reference | lipidmapsM:LMST03020543 |
| formula | C37H48O3 |
| global charge | 0 |
| mol weight | 540.788 |
| InChIKey | OXXBKFFJWAXMCY-CORMLKSPSA-N |
| InChI | InChI=1S/C37H48O3/c1-26(12-10-23-37(40,30-14-6-4-7-15-30)31-16-8-5-9-17-31)33-20-21-34-28(13-11-22-36(33,34)3)18-19-29-24-32(38)25-35(39)27(29)2/h4-9,14-19,26,32-35,38-40H,2,10-13,20-25H2,1,3H3/b28-18+,29-19-/t26-,32-,33-,34+,35+,36-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(O)(C4=CC=CC=C4)C4=CC=CC=C4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C37H48O3/c1-26(12-10-23-37(40,30-14-6-4-7-15-30)31-16-8-5-9-17-31)33-20-21-34-28(13-11-22-36(33,34)3)18-19-29-24-32(38)25-35(39)27(29)2/h4-9,14-19,26,32-35,38-40H,2,10-13,20-25H2,1,3H3/b28-18+,29-19-/t26-,32-,33-,34+,35+,36-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:26]([CH2:12][CH2:10][CH2:23][C:37]([C:30]1=[CH:14][CH:6]=[CH:4][CH:7]=[CH:15]1)([C:31]1=[CH:16][CH:8]=[CH:5][CH:9]=[CH:17]1)[OH:40])[C@H:33]1[CH2:20][CH2:21][C@H:34]2/[C:28](=[CH:18]/[CH:19]=[C:29]3/[CH2:24][C@@H:32]([OH:38])[CH2:25][C@H:35]([OH:39])[C:27]3=[CH2:2])[CH2:13][CH2:11][CH2:22][C@:36]12[CH3:3] |
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