| Properties | Image |
|---|
| MNX_ID | MNXM104891 |
 |
| reference | chebi:70282 |
| formula | C22H32O4 |
| global charge | 0 |
| mol weight | 360.494 |
| InChIKey | FAIIGEDAADKTII-OJXKLFIISA-N |
| InChI | InChI=1S/C22H32O4/c1-13-6-7-16-20(3,12-23)8-5-9-21(16,4)15(13)11-22-17(24)10-14(2)18(25)19(22)26-22/h6,10,15-17,19,23-24H,5,7-9,11-12H2,1-4H3/t15-,16-,17+,19+,20-,21+,22-/m0/s1 |
| SMILES | CC1=C[C@@H](O)[C@]2(C[C@H]3C(C)=CC[C@H]4[C@](C)(CO)CCC[C@]34C)O[C@@H]2C1=O |
MNX internals
| InChI (mnx) | InChI=1/C22H32O4/c1-13-6-7-16-20(3,12-23)8-5-9-21(16,4)15(13)11-22-17(24)10-14(2)18(25)19(22)26-22/h6,10,15-17,19,23-24H,5,7-9,11-12H2,1-4H3/t15-,16-,17+,19+,20-,21+,22-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[CH:6][CH2:7][C@H:16]2[C@:20]([CH3:3])([CH2:12][OH:23])[CH2:8][CH2:5][CH2:9][C@:21]2([CH3:4])[C@H:15]1[CH2:11][C@:22]12[C@H:17]([OH:24])[CH:10]=[C:14]([CH3:2])[C:18](=[O:25])[C@H:19]1[O:26]2 |
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