| Properties | Image |
|---|
| MNX_ID | MNXM1373261 |
 |
| reference | chebi:181161 |
| formula | C22H34O6 |
| global charge | 0 |
| mol weight | 394.508 |
| InChIKey | MQGBHJVUCRXIRM-UHFFFAOYSA-N |
| InChI | InChI=1S/C22H34O6/c1-13-11-15(26-14(2)23)17-19(3,4)7-6-8-20(17,5)22(13)10-9-21(28-22)12-16(24)27-18(21)25/h13,15,17-18,25H,6-12H2,1-5H3 |
| SMILES | CC(=O)OC1CC(C)C2(CCC3(CC(=O)OC3O)O2)C2(C)CCCC(C)(C)C12 |
MNX internals
| InChI (mnx) | InChI=1/C22H34O6/c1-13-11-15(26-14(2)23)17-19(3,4)7-6-8-20(17,5)22(13)10-9-21(28-22)12-16(24)27-18(21)25/h13,15,17-18,25H,6-12H2,1-5H3/t13?,15?,17?,18?,20?,21?,22? |
 |
| SMILES (mnx) | [CH3:1][CH:13]1[CH2:11][CH:15]([O:26][C:14]([CH3:2])=[O:23])[CH:17]2[C:19]([CH3:3])([CH3:4])[CH2:7][CH2:6][CH2:8][C:20]2([CH3:5])[C:22]12[CH2:10][CH2:9][C:21]1([CH2:12][C:16](=[O:24])[O:27][CH:18]1[OH:25])[O:28]2 |
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