| Properties | Image |
|---|
| MNX_ID | MNXM1198403 |
 |
| reference | envipathM:...e88228207c48 |
| formula | C37H62O11 |
| global charge | 0 |
| mol weight | 682.892 |
| InChIKey | YEXAXBNNXJPWMO-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O11/c1-2-15-27(39)21-22-29(41)37-32(48-37)18-10-6-4-8-12-20-36(43)45-26-28(40)25-44-35(42)19-11-7-3-5-9-16-30-33(46-30)24-34-31(47-34)17-13-14-23-38/h21-22,28-34,37-38,40-41H,2-20,23-26H2,1H3 |
| SMILES | CCCC(=O)C=CC(O)C1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C37H62O11/c1-2-15-27(39)21-22-29(41)37-32(48-37)18-10-6-4-8-12-20-36(43)45-26-28(40)25-44-35(42)19-11-7-3-5-9-16-30-33(46-30)24-34-31(47-34)17-13-14-23-38/h21-22,28-34,37-38,40-41H,2-20,23-26H2,1H3/b22-21?/t28?,29?,30?,31?,32?,33?,34?,37? |
 |
| SMILES (mnx) | [CH3:1][CH2:2][CH2:15][C:27]([CH:21]=[CH:22][CH:29]([CH:37]1[CH:32]([CH2:18][CH2:10][CH2:6][CH2:4][CH2:8][CH2:12][CH2:20][C:36](=[O:43])[O:45][CH2:26][CH:28]([CH2:25][O:44][C:35]([CH2:19][CH2:11][CH2:7][CH2:3][CH2:5][CH2:9][CH2:16][CH:30]2[CH:33]([CH2:24][CH:34]3[CH:31]([CH2:17][CH2:13][CH2:14][CH2:23][OH:38])[O:47]3)[O:46]2)=[O:42])[OH:40])[O:48]1)[OH:41])=[O:39] |
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