| Properties | Image |
|---|
| MNX_ID | MNXM1194433 |
 |
| reference | envipathM:...d963a76036ab |
| formula | C37H66O11 |
| global charge | 0 |
| mol weight | 686.924 |
| InChIKey | WZVWZJCWTRHNEG-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O11/c1-2-3-22-34-35(48-34)25-33(43)32(42)21-13-9-7-11-14-23-36(44)46-28-31(27-39)47-37(45)24-15-10-6-4-5-8-12-18-29(40)19-16-17-20-30(41)26-38/h12,16,18-19,29-35,38-43H,2-11,13-15,17,20-28H2,1H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CC(O)C=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C37H66O11/c1-2-3-22-34-35(48-34)25-33(43)32(42)21-13-9-7-11-14-23-36(44)46-28-31(27-39)47-37(45)24-15-10-6-4-5-8-12-18-29(40)19-16-17-20-30(41)26-38/h12,16,18-19,29-35,38-43H,2-11,13-15,17,20-28H2,1H3/b18-12?,19-16?/t29?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:22][CH:34]1[CH:35]([CH2:25][CH:33]([CH:32]([CH2:21][CH2:13][CH2:9][CH2:7][CH2:11][CH2:14][CH2:23][C:36](=[O:44])[O:46][CH2:28][CH:31]([CH2:27][OH:39])[O:47][C:37]([CH2:24][CH2:15][CH2:10][CH2:6][CH2:4][CH2:5][CH2:8][CH:12]=[CH:18][CH:29]([CH:19]=[CH:16][CH2:17][CH2:20][CH:30]([CH2:26][OH:38])[OH:41])[OH:40])=[O:45])[OH:42])[OH:43])[O:48]1 |
|