| Properties | Image |
|---|
| MNX_ID | MNXM105003 |
 |
| reference | chebi:65875 |
| formula | C20H30O5 |
| global charge | 0 |
| mol weight | 350.455 |
| InChIKey | WZTNCEBBCFHTOP-NQKIYUNRSA-N |
| InChI | InChI=1S/C20H30O5/c1-12-6-7-15(22)20(5)11-8-14(13(2)21)18(17(12)20)25-16(23)9-10-19(3,4)24/h9-10,14-15,17-18,22,24H,1,6-8,11H2,2-5H3/b10-9+/t14-,15-,17-,18+,20+/m0/s1 |
| SMILES | C=C1CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)=O)[C@@H](OC(=O)/C=C/C(C)(C)O)[C@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C20H30O5/c1-12-6-7-15(22)20(5)11-8-14(13(2)21)18(17(12)20)25-16(23)9-10-19(3,4)24/h9-10,14-15,17-18,22,24H,1,6-8,11H2,2-5H3/b10-9+/t14-,15-,17-,18+,20+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:12]1[CH2:6][CH2:7][C@H:15]([OH:22])[C@@:20]2([CH3:5])[CH2:11][CH2:8][C@@H:14]([C:13]([CH3:2])=[O:21])[C@@H:18]([O:25][C:16](/[CH:9]=[CH:10]/[C:19]([CH3:3])([CH3:4])[OH:24])=[O:23])[C@H:17]12 |
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