| Properties | Image |
|---|
| MNX_ID | MNXM113933 |
 |
| reference | chebi:69107 |
| formula | C28H38O6 |
| global charge | 0 |
| mol weight | 470.606 |
| InChIKey | OZBFGYQTKGOIKC-NSYRIIBJSA-N |
| InChI | InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1 |
| SMILES | CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(CO)[C@H]4CC[C@]23C)C1 |
MNX internals
| InChI (mnx) | InChI=1/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]1=[C:15]([CH3:2])[C:25](=[O:32])[O:33][C@@H:21]([C@@H:16]([CH3:3])[C@H:18]2[CH2:5][CH2:6][C@H:19]3[C@@H:17]4[CH2:12][C@@H:24]5[C@@:28]6([C@@H:23]([OH:31])[CH:8]=[CH:7][C:22](=[O:30])[C@:27]6([CH2:13][OH:29])[C@H:20]4[CH2:9][CH2:10][C@:26]23[CH3:4])[O:34]5)[CH2:11]1 |
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