| Properties | Image |
|---|
| MNX_ID | MNXM33171 |
 |
| reference | lipidmapsM:LMST03020327 |
| formula | C28H45ClO3 |
| global charge | 0 |
| mol weight | 465.118 |
| InChIKey | BILXVMCDOKFLDB-UUKKMLSSSA-N |
| InChI | InChI=1S/C28H45ClO3/c1-18(7-6-12-27(3,4)32)24-10-11-25-22(13-20(17-29)16-28(24,25)5)9-8-21-14-23(30)15-26(31)19(21)2/h8-9,18,20,23-26,30-32H,2,6-7,10-17H2,1,3-5H3/b21-8-,22-9+/t18-,20+,23-,24-,25+,26+,28-/m1/s1 |
| SMILES | C=C1/C(=C\C=C2/C[C@H](CCl)C[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C28H45ClO3/c1-18(7-6-12-27(3,4)32)24-10-11-25-22(13-20(17-29)16-28(24,25)5)9-8-21-14-23(30)15-26(31)19(21)2/h8-9,18,20,23-26,30-32H,2,6-7,10-17H2,1,3-5H3/b21-8-,22-9+/t18-,20+,23-,24-,25+,26+,28-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@H:18]([CH2:7][CH2:6][CH2:12][C:27]([CH3:3])([CH3:4])[OH:32])[C@H:24]1[CH2:10][CH2:11][C@H:25]2/[C:22](=[CH:9]/[CH:8]=[C:21]3/[CH2:14][C@@H:23]([OH:30])[CH2:15][C@H:26]([OH:31])[C:19]3=[CH2:2])[CH2:13][C@H:20]([CH2:17][Cl:29])[CH2:16][C@:28]12[CH3:5] |
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