| Properties | Image |
|---|
| MNX_ID | MNXM108851 |
 |
| reference | chebi:69491 |
| formula | C20H28O5 |
| global charge | 0 |
| mol weight | 348.439 |
| InChIKey | GMBCLCQVLOXAGM-JFNPQPDZSA-N |
| InChI | InChI=1S/C20H28O5/c1-5-18(4)9-11-13(22)14-15-17(2,3)7-6-8-19(15,16(23)25-14)20(11,24)10-12(18)21/h5,9,12-15,21-22,24H,1,6-8,10H2,2-4H3/t12-,13-,14+,15-,18+,19-,20+/m0/s1 |
| SMILES | C=C[C@]1(C)C=C2[C@H](O)[C@H]3OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)C[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C20H28O5/c1-5-18(4)9-11-13(22)14-15-17(2,3)7-6-8-19(15,16(23)25-14)20(11,24)10-12(18)21/h5,9,12-15,21-22,24H,1,6-8,10H2,2-4H3/t12-,13-,14+,15-,18+,19-,20+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:5][C@:18]1([CH3:4])[CH:9]=[C:11]2[C@H:13]([OH:22])[C@@H:14]3[C@H:15]4[C:17]([CH3:2])([CH3:3])[CH2:7][CH2:6][CH2:8][C@:19]4([C:16](=[O:23])[O:25]3)[C@@:20]2([OH:24])[CH2:10][C@@H:12]1[OH:21] |
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