| Properties | Image |
|---|
| MNX_ID | MNXM1131189 |
 |
| reference | lipidmapsM:LMPR0103160013 |
| formula | C30H42O4 |
| global charge | 0 |
| mol weight | 466.662 |
| InChIKey | MCXRIDOZKCUBHM-LOYHVIPDSA-N |
| InChI | InChI=1S/C30H42O4/c1-18-14-21(29(6)12-8-10-27(29,2)3)26(34)24(32)20(18)15-19-16-22(25(33)23(31)17-19)30(7)13-9-11-28(30,4)5/h14,16-17,31-34H,8-13,15H2,1-7H3/t29-,30-/m1/s1 |
| SMILES | CC1=CC([C@@]2(C)CCCC2(C)C)=C(O)C(O)=C1CC1=CC(O)=C(O)C([C@@]2(C)CCCC2(C)C)=C1 |
MNX internals
| InChI (mnx) | InChI=1/C30H42O4/c1-18-14-21(29(6)12-8-10-27(29,2)3)26(34)24(32)20(18)15-19-16-22(25(33)23(31)17-19)30(7)13-9-11-28(30,4)5/h14,16-17,31-34H,8-13,15H2,1-7H3/t29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:18]1=[CH:14][C:21]([C@@:29]2([CH3:6])[CH2:12][CH2:8][CH2:10][C:27]2([CH3:2])[CH3:3])=[C:26]([OH:34])[C:24]([OH:32])=[C:20]1[CH2:15][C:19]1=[CH:16][C:22]([C@@:30]2([CH3:7])[CH2:13][CH2:9][CH2:11][C:28]2([CH3:4])[CH3:5])=[C:25]([OH:33])[C:23]([OH:31])=[CH:17]1 |
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