| Properties | Image |
|---|
| MNX_ID | MNXM1187774 |
 |
| reference | envipathM:...4516bca4f9ac |
| formula | C20H27O4 |
| global charge | -1 |
| mol weight | 331.432 |
| InChIKey | RMRXVBGBBQLYDR-UHFFFAOYSA-M |
| InChI | InChI=1S/C20H28O4/c1-17-7-4-13-19(3)12(5-9-20(13,11-17)10-15(17)22)18(2,16(23)24)8-6-14(19)21/h12-13H,4-11H2,1-3H3,(H,23,24)/p-1 |
| SMILES | CC12CCC3C(CCC4C(C)(C(=O)[O-])CCC(=O)C34C)(CC1=O)C2 |
MNX internals
| InChI (mnx) | InChI=1/C20H28O4/c1-17-7-4-13-19(3)12(5-9-20(13,11-17)10-15(17)22)18(2,16(23)24)8-6-14(19)21/h12-13H,4-11H2,1-3H3,(H,23,24)/t12?,13?,17?,18?,19?,20? |
 |
| SMILES (mnx) | [CH3:1][C:17]12[CH2:7][CH2:4][CH:13]3[C:19]4([CH3:3])[CH:12]([CH2:5][CH2:9][C:20]3([CH2:10][C:15]1=[O:22])[CH2:11]2)[C:18]([CH3:2])([C:16](=[O:23])[OH:24])[CH2:8][CH2:6][C:14]4=[O:21] |
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