| Properties | Image |
|---|
| MNX_ID | MNXM30618 |
 |
| reference | lipidmapsM:LMST03020092 |
| formula | C27H38O3 |
| global charge | 0 |
| mol weight | 410.598 |
| InChIKey | KKDBQSPKXAUHPH-NRCQPIEOSA-N |
| InChI | InChI=1S/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,26+,27-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C(=O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:17](/[CH:6]=[CH:13]/[C:25]([CH:20]1[CH2:8][CH2:9]1)=[O:29])[C@H:23]1[CH2:11][CH2:12][C@H:24]2/[C:19](=[CH:7]/[CH:10]=[C:21]3/[CH2:15][C@@H:22]([OH:28])[CH2:16][C@H:26]([OH:30])[C:18]3=[CH2:2])[CH2:5][CH2:4][CH2:14][C@:27]12[CH3:3] |
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