| Properties | Image |
|---|
| MNX_ID | MNXM1182266 |
 |
| reference | envipathM:...a8dc5aaba71a |
| formula | C21H34O6 |
| global charge | 0 |
| mol weight | 382.497 |
| InChIKey | VSQIHFCFBUMIFJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H34O6/c1-18-7-5-13(23)9-12(18)3-4-16-20(26)8-6-14(15(24)11-22)19(20,2)17(25)10-21(16,18)27/h12-14,16-17,22-23,25-27H,3-11H2,1-2H3 |
| SMILES | CC12CCC(O)CC1CCC1C2(O)CC(O)C2(C)C(C(=O)CO)CCC12O |
MNX internals
| InChI (mnx) | InChI=1/C21H34O6/c1-18-7-5-13(23)9-12(18)3-4-16-20(26)8-6-14(15(24)11-22)19(20,2)17(25)10-21(16,18)27/h12-14,16-17,22-23,25-27H,3-11H2,1-2H3/t12?,13?,14?,16?,17?,18?,19?,20?,21? |
 |
| SMILES (mnx) | [CH3:1][C:18]12[CH2:7][CH2:5][CH:13]([OH:23])[CH2:9][CH:12]1[CH2:3][CH2:4][CH:16]1[C:20]3([OH:26])[CH2:8][CH2:6][CH:14]([C:15]([CH2:11][OH:22])=[O:24])[C:19]3([CH3:2])[CH:17]([OH:25])[CH2:10][C:21]12[OH:27] |
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