| Properties | Image |
|---|
| MNX_ID | MNXM1180276 |
 |
| reference | envipathM:...934ca2aae815 |
| formula | C37H61O9 |
| global charge | -1 |
| mol weight | 649.886 |
| InChIKey | GCRJQXMHKYTYMT-UHFFFAOYSA-M |
| InChI | InChI=1S/C37H62O9/c1-3-5-7-10-17-23-32-33(45-32)24-18-11-9-12-19-25-35(40)44-29-34(37(42)43)46-36(41)26-20-14-13-16-22-31(39)28-27-30(38)21-15-8-6-4-2/h10,15,17,21,27-28,30-34,38-39H,3-9,11-14,16,18-20,22-26,29H2,1-2H3,(H,42,43)/p-1 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(OC(=O)CCCCCCC(O)C=CC(O)C=CCCCC)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-5-7-10-17-23-32-33(45-32)24-18-11-9-12-19-25-35(40)44-29-34(37(42)43)46-36(41)26-20-14-13-16-22-31(39)28-27-30(38)21-15-8-6-4-2/h10,15,17,21,27-28,30-34,38-39H,3-9,11-14,16,18-20,22-26,29H2,1-2H3,(H,42,43)/b17-10?,21-15?,28-27?/t30?,31?,32?,33?,34? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:10]=[CH:17][CH2:23][CH:32]1[CH:33]([CH2:24][CH2:18][CH2:11][CH2:9][CH2:12][CH2:19][CH2:25][C:35](=[O:40])[O:44][CH2:29][CH:34]([C:37](=[O:42])[OH:43])[O:46][C:36]([CH2:26][CH2:20][CH2:14][CH2:13][CH2:16][CH2:22][CH:31]([CH:28]=[CH:27][CH:30]([CH:21]=[CH:15][CH2:8][CH2:6][CH2:4][CH3:2])[OH:38])[OH:39])=[O:41])[O:45]1 |
|