| Properties | Image |
|---|
| MNX_ID | MNXM108990 |
 |
| reference | chebi:69101 |
| formula | C20H28O5 |
| global charge | 0 |
| mol weight | 348.439 |
| InChIKey | XJXDJAQAAAVDCT-RHOFUAETSA-N |
| InChI | InChI=1S/C20H28O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,13-14,21,23-24H,1,6-10H2,2-4H3/t13-,14+,17+,18+,19-,20-/m1/s1 |
| SMILES | C=C[C@]1(C)C=C2[C@@H](O)[C@@]3(O)OC(=O)[C@@]4(CCCC(C)(C)[C@H]34)[C@@]2(O)CC1 |
MNX internals
| InChI (mnx) | InChI=1/C20H28O5/c1-5-17(4)9-10-19(23)12(11-17)13(21)20(24)14-16(2,3)7-6-8-18(14,19)15(22)25-20/h5,11,13-14,21,23-24H,1,6-10H2,2-4H3/t13-,14+,17+,18+,19-,20-/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[CH:5][C@@:17]1([CH3:4])[CH2:9][CH2:10][C@@:19]2([OH:23])[C:12](=[CH:11]1)[C@@H:13]([OH:21])[C@:20]1([OH:24])[C@H:14]3[C:16]([CH3:2])([CH3:3])[CH2:7][CH2:6][CH2:8][C@@:18]32[C:15](=[O:22])[O:25]1 |
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