| Properties | Image |
|---|
| MNX_ID | MNXM30221 |
 |
| reference | lipidmapsM:LMPR0106230002 |
| formula | C30H50 |
| global charge | 0 |
| mol weight | 410.73 |
| InChIKey | NIALLGCBSYYMNQ-RYUGGBRLSA-N |
| InChI | InChI=1S/C30H50/c1-26(2)15-8-17-29(6)22-11-13-25-28(5,20-21(22)10-12-23(26)29)19-14-24-27(3,4)16-9-18-30(24,25)7/h10,22-25H,8-9,11-20H2,1-7H3/t22-,23-,24?,25?,28-,29+,30-/m0/s1 |
| SMILES | CC1(C)CCC[C@@]2(C)C1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CCC12 |
MNX internals
| InChI (mnx) | InChI=1/C30H50/c1-26(2)15-8-17-29(6)22-11-13-25-28(5,20-21(22)10-12-23(26)29)19-14-24-27(3,4)16-9-18-30(24,25)7/h10,22-25H,8-9,11-20H2,1-7H3/t22-,23-,24?,25?,28-,29+,30-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:26]1([CH3:2])[CH2:15][CH2:8][CH2:17][C@:29]2([CH3:6])[C@H:22]3[CH2:11][CH2:13][CH:25]4[C@@:28]([CH3:5])([CH2:19][CH2:14][CH:24]5[C:27]([CH3:3])([CH3:4])[CH2:16][CH2:9][CH2:18][C@@:30]54[CH3:7])[CH2:20][C:21]3=[CH:10][CH2:12][C@@H:23]12 |
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