| Properties | Image |
|---|
| MNX_ID | MNXM1350369 |
 |
| reference | envipathM:...ad00883aebea |
| formula | C37H66O9 |
| global charge | 0 |
| mol weight | 654.926 |
| InChIKey | KQPKWDLMHZZNJW-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O9/c1-3-5-7-9-17-23-34-37(46-34)33(41)22-16-11-13-18-24-35(42)44-29-32(28-38)45-36(43)25-19-12-10-15-21-31(40)27-26-30(39)20-14-8-6-4-2/h9,14,17,20,30-34,37-41H,3-8,10-13,15-16,18-19,21-29H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1C(O)CCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC(O)CCC(O)C=CCCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O9/c1-3-5-7-9-17-23-34-37(46-34)33(41)22-16-11-13-18-24-35(42)44-29-32(28-38)45-36(43)25-19-12-10-15-21-31(40)27-26-30(39)20-14-8-6-4-2/h9,14,17,20,30-34,37-41H,3-8,10-13,15-16,18-19,21-29H2,1-2H3/b17-9?,20-14?/t30?,31?,32?,33?,34?,37? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:17][CH2:23][CH:34]1[CH:37]([CH:33]([CH2:22][CH2:16][CH2:11][CH2:13][CH2:18][CH2:24][C:35](=[O:42])[O:44][CH2:29][CH:32]([CH2:28][OH:38])[O:45][C:36]([CH2:25][CH2:19][CH2:12][CH2:10][CH2:15][CH2:21][CH:31]([CH2:27][CH2:26][CH:30]([CH:20]=[CH:14][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:40])=[O:43])[OH:41])[O:46]1 |
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