| Properties | Image |
|---|
| MNX_ID | MNXM1128762 |
 |
| reference | chebi:167514 |
| formula | C25H37O4 |
| global charge | -1 |
| mol weight | 401.567 |
| InChIKey | HOJAIZSMUNKBJQ-SXFKLJQYSA-M |
| InChI | InChI=1S/C25H38O4/c1-13(2)15-9-19(27)23(3)7-8-25(12-26)10-16-14(22(28)29)5-6-17(16)24(4)11-18(24)21(25)20(15)23/h13,15,17-21,26-27H,5-12H2,1-4H3,(H,28,29)/p-1/t15-,17-,18-,19-,20+,21+,23-,24+,25-/m1/s1 |
| SMILES | CC(C)[C@H]1C[C@@H](O)[C@@]2(C)CC[C@]3(CO)CC4=C(C(=O)[O-])CC[C@H]4[C@]4(C)C[C@@H]4[C@H]3[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C25H38O4/c1-13(2)15-9-19(27)23(3)7-8-25(12-26)10-16-14(22(28)29)5-6-17(16)24(4)11-18(24)21(25)20(15)23/h13,15,17-21,26-27H,5-12H2,1-4H3,(H,28,29)/t15-,17-,18-,19-,20+,21+,23-,24+,25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:13]([CH3:2])[C@H:15]1[CH2:9][C@@H:19]([OH:27])[C@@:23]2([CH3:3])[CH2:7][CH2:8][C@:25]3([CH2:12][OH:26])[CH2:10][C:16]4=[C:14]([C:22](=[O:28])[OH:29])[CH2:5][CH2:6][C@H:17]4[C@:24]4([CH3:4])[CH2:11][C@@H:18]4[C@H:21]3[C@H:20]12 |
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