| Properties | Image |
|---|
| MNX_ID | MNXM1194331 |
 |
| reference | envipathM:...66dbfa3e5c2a |
| formula | C37H62O11 |
| global charge | 0 |
| mol weight | 682.892 |
| InChIKey | BMSDSUKXFADXJS-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O11/c1-3-5-17-30-33(46-30)23-34-31(47-34)18-12-10-9-11-16-29(41)37(43)45-25-27(39)24-44-35(42)20-14-8-6-7-13-19-32-36(48-32)28(40)22-21-26(38)15-4-2/h21-22,26-28,30-34,36,38-40H,3-20,23-25H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCC(=O)C(=O)OCC(O)COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O11/c1-3-5-17-30-33(46-30)23-34-31(47-34)18-12-10-9-11-16-29(41)37(43)45-25-27(39)24-44-35(42)20-14-8-6-7-13-19-32-36(48-32)28(40)22-21-26(38)15-4-2/h21-22,26-28,30-34,36,38-40H,3-20,23-25H2,1-2H3/b22-21?/t26?,27?,28?,30?,31?,32?,33?,34?,36? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:17][CH:30]1[CH:33]([CH2:23][CH:34]2[CH:31]([CH2:18][CH2:12][CH2:10][CH2:9][CH2:11][CH2:16][C:29]([C:37](=[O:43])[O:45][CH2:25][CH:27]([CH2:24][O:44][C:35]([CH2:20][CH2:14][CH2:8][CH2:6][CH2:7][CH2:13][CH2:19][CH:32]3[CH:36]([CH:28]([CH:22]=[CH:21][CH:26]([CH2:15][CH2:4][CH3:2])[OH:38])[OH:40])[O:48]3)=[O:42])[OH:39])=[O:41])[O:47]2)[O:46]1 |
|