| Properties | Image |
|---|
| MNX_ID | MNXM9941 |
 |
| reference | metacycM:CPD-13801 |
| formula | C27H39O4 |
| global charge | -1 |
| mol weight | 427.605 |
| InChIKey | IMPAUPKKYVCXJW-NHLPYSNWSA-M |
| InChI | InChI=1S/C27H40O4/c1-16(5-10-24(29)17(2)25(30)31)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h15-17,20-23H,5-14H2,1-4H3,(H,30,31)/p-1/t16-,17?,20+,21-,22+,23+,26+,27-/m1/s1 |
| SMILES | CC(C(=O)[O-])C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C27H40O4/c1-16(5-10-24(29)17(2)25(30)31)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h15-17,20-23H,5-14H2,1-4H3,(H,30,31)/t16-,17?,20+,21-,22+,23+,26+,27-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:16]([CH2:5][CH2:10][C:24]([CH:17]([CH3:2])[C:25](=[O:30])[OH:31])=[O:29])[C@H:21]1[CH2:8][CH2:9][C@H:22]2[C@@H:20]3[CH2:7][CH2:6][C:18]4=[CH:15][C:19](=[O:28])[CH2:11][CH2:13][C@:26]4([CH3:3])[C@H:23]3[CH2:12][CH2:14][C@:27]12[CH3:4] |
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