| Properties | Image |
|---|
| MNX_ID | MNXM150704 |
 |
| reference | lipidmapsM:LMST01020083 |
| formula | C51H90O2 |
| global charge | 0 |
| mol weight | 735.279 |
| InChIKey | VBOXELVAJXPXMS-NAFXJPPRSA-N |
| InChI | InChI=1S/C51H90O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h16-17,31,40-42,44-48H,8-15,18-30,32-39H2,1-7H3/b17-16-/t41-,42-,44+,45+,46-,47+,48+,50+,51-/m1/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]4(C)CC[C@@H]32)C1 |
MNX internals
| InChI (mnx) | InChI=1/C51H90O2/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-49(52)53-44-35-37-50(6)43(39-44)31-32-45-47-34-33-46(51(47,7)38-36-48(45)50)41(5)29-30-42(9-2)40(3)4/h16-17,31,40-42,44-48H,8-15,18-30,32-39H2,1-7H3/b17-16-/t41-,42-,44+,45+,46-,47+,48+,50+,51-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:49](=[O:52])[O:53][C@H:44]1[CH2:35][CH2:37][C@@:50]2([CH3:6])[C:43](=[CH:31][CH2:32][C@H:45]3[C@@H:47]4[CH2:34][CH2:33][C@H:46]([C@H:41]([CH3:5])[CH2:29][CH2:30][C@@H:42]([CH2:9][CH3:2])[CH:40]([CH3:3])[CH3:4])[C@@:51]4([CH3:7])[CH2:38][CH2:36][C@@H:48]32)[CH2:39]1 |
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