| Properties | Image |
|---|
| MNX_ID | MNXM166265 |
 |
| reference | chebi:183482 |
| formula | C21H32O5 |
| global charge | 0 |
| mol weight | 364.482 |
| InChIKey | JDEYOKPHRJVBQO-FPXQBPFJSA-N |
| InChI | InChI=1S/C21H32O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h11-15,17-19,22-23,25H,2-10H2,1H3/t11-,12-,13+,14+,15-,17+,18-,19?,20+,21-/m1/s1 |
| SMILES | C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H]2C[C@]3(C(O)O2)[C@@H](C(=O)CO)CC[C@@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C21H32O5/c1-20-7-6-12(23)8-11(20)2-3-13-14-4-5-15(16(24)10-22)21(14)9-17(18(13)20)26-19(21)25/h11-15,17-19,22-23,25H,2-10H2,1H3/t11-,12-,13+,14+,15-,17+,18-,19?,20+,21-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@:20]12[CH2:7][CH2:6][C@@H:12]([OH:23])[CH2:8][C@H:11]1[CH2:2][CH2:3][C@H:13]1[C@@H:14]3[CH2:4][CH2:5][C@H:15]([C:16]([CH2:10][OH:22])=[O:24])[C@@:21]34[CH2:9][C@@H:17]([C@@H:18]12)[O:26][CH:19]4[OH:25] |
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