| Properties | Image |
|---|
| MNX_ID | MNXM1180711 |
 |
| reference | envipathM:...46fa7521075c |
| formula | C37H64O12 |
| global charge | 0 |
| mol weight | 700.907 |
| InChIKey | DXOKJMMFWUAILC-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O12/c1-3-5-6-8-11-19-29-30(47-29)20-12-9-7-10-13-21-33(42)45-23-25(38)24-46-37(44)34(43)26(39)17-14-15-18-28(41)36-32(49-36)22-31-35(48-31)27(40)16-4-2/h8,11,25-32,34-36,38-41,43H,3-7,9-10,12-24H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(O)COC(=O)C(O)C(O)CCCCC(O)C1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H64O12/c1-3-5-6-8-11-19-29-30(47-29)20-12-9-7-10-13-21-33(42)45-23-25(38)24-46-37(44)34(43)26(39)17-14-15-18-28(41)36-32(49-36)22-31-35(48-31)27(40)16-4-2/h8,11,25-32,34-36,38-41,43H,3-7,9-10,12-24H2,1-2H3/b11-8?/t25?,26?,27?,28?,29?,30?,31?,32?,34?,35?,36? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:8]=[CH:11][CH2:19][CH:29]1[CH:30]([CH2:20][CH2:12][CH2:9][CH2:7][CH2:10][CH2:13][CH2:21][C:33](=[O:42])[O:45][CH2:23][CH:25]([CH2:24][O:46][C:37]([CH:34]([CH:26]([CH2:17][CH2:14][CH2:15][CH2:18][CH:28]([CH:36]2[CH:32]([CH2:22][CH:31]3[CH:35]([CH:27]([CH2:16][CH2:4][CH3:2])[OH:40])[O:48]3)[O:49]2)[OH:41])[OH:39])[OH:43])=[O:44])[OH:38])[O:47]1 |
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