| Properties | Image |
|---|
| MNX_ID | MNXM105939 |
 |
| reference | chebi:70375 |
| formula | C21H30O5 |
| global charge | 0 |
| mol weight | 362.466 |
| InChIKey | HZXIWBLGRBHNQF-JGSVWFLJSA-N |
| InChI | InChI=1S/C21H30O5/c1-10-11-5-6-12-20-13(19(2,3)8-7-14(20)22)9-15(26-18(20)25-4)21(12,16(10)23)17(11)24/h11-15,17-18,22,24H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15-,17-,18?,20-,21+/m1/s1 |
| SMILES | C=C1C(=O)[C@]23[C@H](O)[C@@H]1CC[C@H]2[C@@]12[C@H](OC)O[C@@H]3C[C@@H]1C(C)(C)CC[C@@H]2O |
MNX internals
| InChI (mnx) | InChI=1/C21H30O5/c1-10-11-5-6-12-20-13(19(2,3)8-7-14(20)22)9-15(26-18(20)25-4)21(12,16(10)23)17(11)24/h11-15,17-18,22,24H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15-,17-,18?,20-,21+/m1/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:10]1[C@H:11]2[CH2:5][CH2:6][C@H:12]3[C@:20]45[C@H:13]([CH2:9][C@H:15]([C@@:21]3([C:16]1=[O:23])[C@@H:17]2[OH:24])[O:26][CH:18]4[O:25][CH3:4])[C:19]([CH3:2])([CH3:3])[CH2:8][CH2:7][C@@H:14]5[OH:22] |
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