| Properties | Image |
|---|
| MNX_ID | MNXM1185293 |
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| reference | envipathM:...cb3b42d37d01 |
| formula | C37H64O12 |
| global charge | 0 |
| mol weight | 700.907 |
| InChIKey | IBMNVBRHGKSSPF-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O12/c1-3-14-25(38)20-21-29(42)35-30(47-35)17-11-6-5-7-12-18-33(43)45-23-26(39)24-46-34(44)19-13-9-8-10-16-28(41)37-32(49-37)22-31-36(48-31)27(40)15-4-2/h20-21,25-32,35-42H,3-19,22-24H2,1-2H3 |
| SMILES | CCCC(O)C=CC(O)C1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC(O)C1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H64O12/c1-3-14-25(38)20-21-29(42)35-30(47-35)17-11-6-5-7-12-18-33(43)45-23-26(39)24-46-34(44)19-13-9-8-10-16-28(41)37-32(49-37)22-31-36(48-31)27(40)15-4-2/h20-21,25-32,35-42H,3-19,22-24H2,1-2H3/b21-20?/t25?,26?,27?,28?,29?,30?,31?,32?,35?,36?,37? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:14][CH:25]([CH:20]=[CH:21][CH:29]([CH:35]1[CH:30]([CH2:17][CH2:11][CH2:6][CH2:5][CH2:7][CH2:12][CH2:18][C:33](=[O:43])[O:45][CH2:23][CH:26]([CH2:24][O:46][C:34]([CH2:19][CH2:13][CH2:9][CH2:8][CH2:10][CH2:16][CH:28]([CH:37]2[CH:32]([CH2:22][CH:31]3[CH:36]([CH:27]([CH2:15][CH2:4][CH3:2])[OH:40])[O:48]3)[O:49]2)[OH:41])=[O:44])[OH:39])[O:47]1)[OH:42])[OH:38] |
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