| Properties | Image |
|---|
| MNX_ID | MNXM106513 |
 |
| reference | chebi:66689 |
| formula | C20H28O5 |
| global charge | 0 |
| mol weight | 348.439 |
| InChIKey | VPZCKRKZFRCZMX-FINWQXJNSA-N |
| InChI | InChI=1S/C20H28O5/c1-10-11-4-5-12-18-9-25-19(24,20(12,15(10)22)16(11)23)8-13(18)17(2,3)7-6-14(18)21/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12-,13+,14-,16+,18-,19+,20-/m0/s1 |
| SMILES | C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C20H28O5/c1-10-11-4-5-12-18-9-25-19(24,20(12,15(10)22)16(11)23)8-13(18)17(2,3)7-6-14(18)21/h11-14,16,21,23-24H,1,4-9H2,2-3H3/t11-,12-,13+,14-,16+,18-,19+,20-/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:10]1[C@@H:11]2[CH2:4][CH2:5][C@H:12]3[C@@:18]45[CH2:9][O:25][C@:19]([OH:24])([CH2:8][C@@H:13]4[C:17]([CH3:2])([CH3:3])[CH2:7][CH2:6][C@@H:14]5[OH:21])[C@@:20]3([C:15]1=[O:22])[C@@H:16]2[OH:23] |
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