| Properties | Image |
|---|
| MNX_ID | MNXM1195234 |
 |
| reference | envipathM:...17d3aaa73f53 |
| formula | C37H66O9 |
| global charge | 0 |
| mol weight | 654.926 |
| InChIKey | PAPZQEVKMHDJEX-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O9/c1-3-5-6-18-24-32(40)36-34(46-36)26-20-16-15-19-25-33(41)37(43)44-29-31(28-38)45-35(42)27-21-14-12-10-8-7-9-11-13-17-23-30(39)22-4-2/h9,11,17,23,30-34,36,38-41H,3-8,10,12-16,18-22,24-29H2,1-2H3 |
| SMILES | CCCCCCC(O)C1OC1CCCCCCC(O)C(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O9/c1-3-5-6-18-24-32(40)36-34(46-36)26-20-16-15-19-25-33(41)37(43)44-29-31(28-38)45-35(42)27-21-14-12-10-8-7-9-11-13-17-23-30(39)22-4-2/h9,11,17,23,30-34,36,38-41H,3-8,10,12-16,18-22,24-29H2,1-2H3/b11-9?,23-17?/t30?,31?,32?,33?,34?,36? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH2:18][CH2:24][CH:32]([CH:36]1[CH:34]([CH2:26][CH2:20][CH2:16][CH2:15][CH2:19][CH2:25][CH:33]([C:37](=[O:43])[O:44][CH2:29][CH:31]([CH2:28][OH:38])[O:45][C:35]([CH2:27][CH2:21][CH2:14][CH2:12][CH2:10][CH2:8][CH2:7][CH:9]=[CH:11][CH2:13][CH:17]=[CH:23][CH:30]([CH2:22][CH2:4][CH3:2])[OH:39])=[O:42])[OH:41])[O:46]1)[OH:40] |
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