| Properties | Image |
|---|
| MNX_ID | MNXM30579 |
 |
| reference | lipidmapsM:LMST03020524 |
| formula | C32H54O4 |
| global charge | 0 |
| mol weight | 502.78 |
| InChIKey | OFKPBOFYILCBHU-SYQZQBOXSA-N |
| InChI | InChI=1S/C32H54O4/c1-7-16-32(35,17-8-2)20-10-19-31(5,36-6)29-15-14-27-24(11-9-18-30(27,29)4)12-13-25-21-26(33)22-28(34)23(25)3/h12-13,26-29,33-35H,3,7-11,14-22H2,1-2,4-6H3/b24-12+,25-13-/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)(CCCC(O)(CCC)CCC)OC)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C32H54O4/c1-7-16-32(35,17-8-2)20-10-19-31(5,36-6)29-15-14-27-24(11-9-18-30(27,29)4)12-13-25-21-26(33)22-28(34)23(25)3/h12-13,26-29,33-35H,3,7-11,14-22H2,1-2,4-6H3/b24-12+,25-13-/t26-,27+,28+,29+,30+,31+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH2:16][C:32]([CH2:17][CH2:8][CH3:2])([CH2:20][CH2:10][CH2:19][C@@:31]([CH3:5])([C@H:29]1[CH2:15][CH2:14][C@H:27]2/[C:24](=[CH:12]/[CH:13]=[C:25]3/[CH2:21][C@@H:26]([OH:33])[CH2:22][C@H:28]([OH:34])[C:23]3=[CH2:3])[CH2:11][CH2:9][CH2:18][C@@:30]21[CH3:4])[O:36][CH3:6])[OH:35] |
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