| Properties | Image |
|---|
| MNX_ID | MNXM1182182 |
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| reference | envipathM:...d6d49adaea6e |
| formula | C37H68O12 |
| global charge | 0 |
| mol weight | 704.939 |
| InChIKey | SNHKVBBPDZQKTA-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H68O12/c1-3-5-6-8-13-19-28(39)29(40)20-14-9-7-10-17-23-35(44)47-25-27(38)26-48-37(46)31(42)21-15-11-12-16-22-33-34(49-33)24-32(43)36(45)30(41)18-4-2/h8,13,27-34,36,38-43,45H,3-7,9-12,14-26H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(O)COC(=O)C(O)CCCCCCC1OC1CC(O)C(O)C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H68O12/c1-3-5-6-8-13-19-28(39)29(40)20-14-9-7-10-17-23-35(44)47-25-27(38)26-48-37(46)31(42)21-15-11-12-16-22-33-34(49-33)24-32(43)36(45)30(41)18-4-2/h8,13,27-34,36,38-43,45H,3-7,9-12,14-26H2,1-2H3/b13-8?/t27?,28?,29?,30?,31?,32?,33?,34?,36? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:8]=[CH:13][CH2:19][CH:28]([CH:29]([CH2:20][CH2:14][CH2:9][CH2:7][CH2:10][CH2:17][CH2:23][C:35](=[O:44])[O:47][CH2:25][CH:27]([CH2:26][O:48][C:37]([CH:31]([CH2:21][CH2:15][CH2:11][CH2:12][CH2:16][CH2:22][CH:33]1[CH:34]([CH2:24][CH:32]([CH:36]([CH:30]([CH2:18][CH2:4][CH3:2])[OH:41])[OH:45])[OH:43])[O:49]1)[OH:42])=[O:46])[OH:38])[OH:40])[OH:39] |
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