| Properties | Image |
|---|
| MNX_ID | MNXM30576 |
 |
| reference | lipidmapsM:LMST03020525 |
| formula | C32H54O4 |
| global charge | 0 |
| mol weight | 502.78 |
| InChIKey | BMSWFQGRAYAOJE-VJOAKPCZSA-N |
| InChI | InChI=1S/C32H54O4/c1-7-32(35,8-2)20-11-10-19-31(6,36-9-3)29-17-16-27-24(13-12-18-30(27,29)5)14-15-25-21-26(33)22-28(34)23(25)4/h14-15,26-29,33-35H,4,7-13,16-22H2,1-3,5-6H3/b24-14+,25-15-/t26-,27+,28+,29+,30+,31+/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@](C)(CCCCC(O)(CC)CC)OCC)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H54O4/c1-7-32(35,8-2)20-11-10-19-31(6,36-9-3)29-17-16-27-24(13-12-18-30(27,29)5)14-15-25-21-26(33)22-28(34)23(25)4/h14-15,26-29,33-35H,4,7-13,16-22H2,1-3,5-6H3/b24-14+,25-15-/t26-,27+,28+,29+,30+,31+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][C:32]([CH2:8][CH3:2])([CH2:20][CH2:11][CH2:10][CH2:19][C@@:31]([CH3:6])([C@H:29]1[CH2:17][CH2:16][C@H:27]2/[C:24](=[CH:14]/[CH:15]=[C:25]3/[CH2:21][C@@H:26]([OH:33])[CH2:22][C@H:28]([OH:34])[C:23]3=[CH2:4])[CH2:13][CH2:12][CH2:18][C@@:30]21[CH3:5])[O:36][CH2:9][CH3:3])[OH:35] |
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