| Properties | Image |
|---|
| MNX_ID | MNXM1191195 |
 |
| reference | envipathM:...59e09a4d2e0d |
| formula | C37H66O9 |
| global charge | 0 |
| mol weight | 654.926 |
| InChIKey | OQIKMRNIBNSGQF-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O9/c1-3-5-6-14-21-31(40)22-15-10-7-8-11-16-24-33(41)37(43)45-32(28-38)29-44-36(42)27-18-13-9-12-17-25-34-35(46-34)26-19-23-30(39)20-4-2/h15,19,22-23,30-35,38-41H,3-14,16-18,20-21,24-29H2,1-2H3 |
| SMILES | CCCCCCC(O)C=CCCCCCCC(O)C(=O)OC(CO)COC(=O)CCCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O9/c1-3-5-6-14-21-31(40)22-15-10-7-8-11-16-24-33(41)37(43)45-32(28-38)29-44-36(42)27-18-13-9-12-17-25-34-35(46-34)26-19-23-30(39)20-4-2/h15,19,22-23,30-35,38-41H,3-14,16-18,20-21,24-29H2,1-2H3/b22-15?,23-19?/t30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:14][CH2:21][CH:31]([CH:22]=[CH:15][CH2:10][CH2:7][CH2:8][CH2:11][CH2:16][CH2:24][CH:33]([C:37](=[O:43])[O:45][CH:32]([CH2:28][OH:38])[CH2:29][O:44][C:36]([CH2:27][CH2:18][CH2:13][CH2:9][CH2:12][CH2:17][CH2:25][CH:34]1[CH:35]([CH2:26][CH:19]=[CH:23][CH:30]([CH2:20][CH2:4][CH3:2])[OH:39])[O:46]1)=[O:42])[OH:41])[OH:40] |
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