| Properties | Image |
|---|
| MNX_ID | MNXM1131977 |
 |
| reference | lipidmapsM:LMST01130021 |
| formula | C24H34O5 |
| global charge | 0 |
| mol weight | 402.531 |
| InChIKey | IMWIOPJWKFUVSV-YXVUHCRDSA-N |
| InChI | InChI=1S/C24H34O5/c1-22-9-7-18-19(5-4-15-11-16(25)12-20(26)23(15,18)2)24(22,28)10-8-17(22)14-3-6-21(27)29-13-14/h3,6,13,15-20,25-26,28H,4-5,7-12H2,1-2H3/t15-,16-,17-,18+,19-,20-,22-,23+,24+/m1/s1 |
| SMILES | C[C@]12[C@H](CC[C@@H]3[C@@H]1CC[C@]1(C)[C@@H](C4=COC(=O)C=C4)CC[C@]31O)C[C@@H](O)C[C@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C24H34O5/c1-22-9-7-18-19(5-4-15-11-16(25)12-20(26)23(15,18)2)24(22,28)10-8-17(22)14-3-6-21(27)29-13-14/h3,6,13,15-20,25-26,28H,4-5,7-12H2,1-2H3/t15-,16-,17-,18+,19-,20-,22-,23+,24+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:22]12[CH2:9][CH2:7][C@H:18]3[C@@H:19]([CH2:5][CH2:4][C@@H:15]4[CH2:11][C@@H:16]([OH:25])[CH2:12][C@@H:20]([OH:26])[C@@:23]43[CH3:2])[C@@:24]1([OH:28])[CH2:10][CH2:8][C@@H:17]2[C:14]1=[CH:13][O:29][C:21](=[O:27])[CH:6]=[CH:3]1 |
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