| Properties | Image |
|---|
| MNX_ID | MNXM1195337 |
 |
| reference | envipathM:...3733495e701f |
| formula | C37H64O12 |
| global charge | 0 |
| mol weight | 700.907 |
| InChIKey | IVDOHIRUVSBFJM-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O12/c1-3-15-28(41)37-33(49-37)22-32-30(47-32)18-11-6-5-7-12-20-34(43)45-23-25(38)24-46-35(44)21-13-9-8-10-16-29(42)36-31(48-36)19-14-17-27(40)26(39)4-2/h14,17,25-33,36-42H,3-13,15-16,18-24H2,1-2H3 |
| SMILES | CCCC(O)C1OC1CC1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC(O)C1OC1CC=CC(O)C(O)CC |
MNX internals
| InChI (mnx) | InChI=1/C37H64O12/c1-3-15-28(41)37-33(49-37)22-32-30(47-32)18-11-6-5-7-12-20-34(43)45-23-25(38)24-46-35(44)21-13-9-8-10-16-29(42)36-31(48-36)19-14-17-27(40)26(39)4-2/h14,17,25-33,36-42H,3-13,15-16,18-24H2,1-2H3/b17-14?/t25?,26?,27?,28?,29?,30?,31?,32?,33?,36?,37? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:15][CH:28]([CH:37]1[CH:33]([CH2:22][CH:32]2[CH:30]([CH2:18][CH2:11][CH2:6][CH2:5][CH2:7][CH2:12][CH2:20][C:34](=[O:43])[O:45][CH2:23][CH:25]([CH2:24][O:46][C:35]([CH2:21][CH2:13][CH2:9][CH2:8][CH2:10][CH2:16][CH:29]([CH:36]3[CH:31]([CH2:19][CH:14]=[CH:17][CH:27]([CH:26]([CH2:4][CH3:2])[OH:39])[OH:40])[O:48]3)[OH:42])=[O:44])[OH:38])[O:47]2)[O:49]1)[OH:41] |
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