| Properties | Image |
|---|
| MNX_ID | MNXM58518 |
 |
| reference | lipidmapsM:LMPR0106230001 |
| formula | C30H50O3 |
| global charge | 0 |
| mol weight | 458.727 |
| InChIKey | VIQLIQLYBFTEGJ-PFZWHWLDSA-N |
| InChI | InChI=1S/C30H50O3/c1-26(2)21-9-8-19-17-27(3)14-10-22-28(4,18-31)12-7-13-29(22,5)23(27)16-20(32)25(19)30(21,6)15-11-24(26)33/h8,20-25,31-33H,7,9-18H2,1-6H3/t20-,21+,22?,23?,24-,25-,27+,28-,29+,30+/m1/s1 |
| SMILES | CC1(C)[C@H](O)CC[C@]2(C)[C@@H]3C(=CC[C@@H]12)C[C@]1(C)CCC2[C@@](C)(CO)CCC[C@]2(C)C1C[C@H]3O |
MNX internals
| InChI (mnx) | InChI=1/C30H50O3/c1-26(2)21-9-8-19-17-27(3)14-10-22-28(4,18-31)12-7-13-29(22,5)23(27)16-20(32)25(19)30(21,6)15-11-24(26)33/h8,20-25,31-33H,7,9-18H2,1-6H3/t20-,21+,22?,23?,24-,25-,27+,28-,29+,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:26]1([CH3:2])[C@@H:21]2[CH2:9][CH:8]=[C:19]3[CH2:17][C@:27]4([CH3:3])[CH2:14][CH2:10][CH:22]5[C@@:28]([CH3:4])([CH2:18][OH:31])[CH2:12][CH2:7][CH2:13][C@:29]5([CH3:5])[CH:23]4[CH2:16][C@@H:20]([OH:32])[C@@H:25]3[C@@:30]2([CH3:6])[CH2:15][CH2:11][C@H:24]1[OH:33] |
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