| Properties | Image |
|---|
| MNX_ID | MNXM1131979 |
 |
| reference | lipidmapsM:LMST01130024 |
| formula | C24H34O5 |
| global charge | 0 |
| mol weight | 402.531 |
| InChIKey | MWFCMSURKYLINK-QDLCSJEJSA-N |
| InChI | InChI=1S/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)21(19(26)12-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19+,21+,22+,23-,24+/m1/s1 |
| SMILES | C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=COC(=O)C=C3)[C@@H](O)C[C@]12O |
MNX internals
| InChI (mnx) | InChI=1/C24H34O5/c1-22-9-7-16(25)11-15(22)4-5-18-17(22)8-10-23(2)21(19(26)12-24(18,23)28)14-3-6-20(27)29-13-14/h3,6,13,15-19,21,25-26,28H,4-5,7-12H2,1-2H3/t15-,16+,17+,18-,19+,21+,22+,23-,24+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:22]12[CH2:9][CH2:7][C@H:16]([OH:25])[CH2:11][C@H:15]1[CH2:4][CH2:5][C@@H:18]1[C@@H:17]2[CH2:8][CH2:10][C@:23]2([CH3:2])[C@@H:21]([C:14]3=[CH:13][O:29][C:20](=[O:27])[CH:6]=[CH:3]3)[C@@H:19]([OH:26])[CH2:12][C@:24]12[OH:28] |
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