| Properties | Image |
|---|
| MNX_ID | MNXM1173750 |
 |
| reference | envipathM:...3eb255dffb17 |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | CTNCPJUOHIIEPT-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-3-5-7-8-9-11-16-21-30(39)22-17-14-15-20-26-37(43)45-31(28-38)29-44-36(42)25-19-13-10-12-18-24-34-35(46-34)27-33(41)32(40)23-6-4-2/h8-9,16,21,28,30-32,34-35,39-40H,3-7,10-15,17-20,22-27,29H2,1-2H3 |
| SMILES | CCCCC=CCC=CC(O)CCCCCCC(=O)OC(C=O)COC(=O)CCCCCCCC1OC1CC(=O)C(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-5-7-8-9-11-16-21-30(39)22-17-14-15-20-26-37(43)45-31(28-38)29-44-36(42)25-19-13-10-12-18-24-34-35(46-34)27-33(41)32(40)23-6-4-2/h8-9,16,21,28,30-32,34-35,39-40H,3-7,10-15,17-20,22-27,29H2,1-2H3/b9-8?,21-16?/t30?,31?,32?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:8]=[CH:9][CH2:11][CH:16]=[CH:21][CH:30]([CH2:22][CH2:17][CH2:14][CH2:15][CH2:20][CH2:26][C:37](=[O:43])[O:45][CH:31]([CH:28]=[O:38])[CH2:29][O:44][C:36]([CH2:25][CH2:19][CH2:13][CH2:10][CH2:12][CH2:18][CH2:24][CH:34]1[CH:35]([CH2:27][C:33]([CH:32]([CH2:23][CH2:6][CH2:4][CH3:2])[OH:40])=[O:41])[O:46]1)=[O:42])[OH:39] |
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