| Properties | Image |
|---|
| MNX_ID | MNXM1131352 |
 |
| reference | lipidmapsM:LMPR04000034 |
| formula | C37H66O3 |
| global charge | 0 |
| mol weight | 558.932 |
| InChIKey | ALSMYYFPYFVSSK-DNMANSADSA-N |
| InChI | InChI=1S/C37H66O3/c1-23-20-33(4,5)30-16-19-37(9)32(35(30,7)21-23)13-12-31-34(6)17-14-26(27(34)15-18-36(31,37)8)24(2)10-11-28(39)25(3)29(40)22-38/h23-32,38-40H,10-22H2,1-9H3/t23-,24?,25-,26-,27+,28-,29+,30+,31-,32-,34+,35+,36-,37-/m1/s1 |
| SMILES | CC(CC[C@@H](O)[C@@H](C)[C@@H](O)CO)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)C[C@H](C)CC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C37H66O3/c1-23-20-33(4,5)30-16-19-37(9)32(35(30,7)21-23)13-12-31-34(6)17-14-26(27(34)15-18-36(31,37)8)24(2)10-11-28(39)25(3)29(40)22-38/h23-32,38-40H,10-22H2,1-9H3/t23-,24?,25-,26-,27+,28-,29+,30+,31-,32-,34+,35+,36-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:23]1[CH2:20][C:33]([CH3:4])([CH3:5])[C@@H:30]2[CH2:16][CH2:19][C@:37]3([CH3:9])[C@H:32]([CH2:13][CH2:12][C@@H:31]4[C@@:34]5([CH3:6])[CH2:17][CH2:14][C@H:26]([CH:24]([CH3:2])[CH2:10][CH2:11][C@H:28]([C@@H:25]([CH3:3])[C@H:29]([CH2:22][OH:38])[OH:40])[OH:39])[C@@H:27]5[CH2:15][CH2:18][C@:36]43[CH3:8])[C@@:35]2([CH3:7])[CH2:21]1 |
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