| Properties | Image |
|---|
| MNX_ID | MNXM23872 |
 |
| reference | lipidmapsM:LMST01110017 |
| formula | C29H48O2 |
| global charge | 0 |
| mol weight | 428.701 |
| InChIKey | QPZGFCIOPOCRRK-JCNUMBOPSA-N |
| InChI | InChI=1S/C29H48O2/c1-17(21-14-19(21)3)6-7-18(2)23-8-9-24-22-15-26-29(31-26)16-20(30)10-13-28(29,5)25(22)11-12-27(23,24)4/h17-26,30H,6-16H2,1-5H3/t17-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-,28-,29+/m1/s1 |
| SMILES | C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C)[C@@H]1C[C@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C29H48O2/c1-17(21-14-19(21)3)6-7-18(2)23-8-9-24-22-15-26-29(31-26)16-20(30)10-13-28(29,5)25(22)11-12-27(23,24)4/h17-26,30H,6-16H2,1-5H3/t17-,18-,19-,20+,21+,22+,23-,24+,25+,26+,27-,28-,29+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17]([CH2:6][CH2:7][C@@H:18]([CH3:2])[C@H:23]1[CH2:8][CH2:9][C@H:24]2[C@@H:22]3[CH2:15][C@H:26]4[C@:29]5([CH2:16][C@@H:20]([OH:30])[CH2:10][CH2:13][C@:28]5([CH3:5])[C@H:25]3[CH2:11][CH2:12][C@:27]12[CH3:4])[O:31]4)[C@@H:21]1[CH2:14][C@H:19]1[CH3:3] |
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