| Properties | Image |
|---|
| MNX_ID | MNXM1174729 |
 |
| reference | envipathM:...84052ab5ddf9 |
| formula | C37H66O9 |
| global charge | 0 |
| mol weight | 654.926 |
| InChIKey | XCTRGYJFHSZHGD-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O9/c1-3-18-30(39)21-17-23-35-34(46-35)22-14-10-8-12-15-24-36(42)44-29-33(28-38)45-37(43)25-16-11-7-5-6-9-13-20-32(41)27-26-31(40)19-4-2/h13,20,26-27,30-35,38-41H,3-12,14-19,21-25,28-29H2,1-2H3 |
| SMILES | CCCC(O)C=CC(O)C=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC1OC1CCCC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O9/c1-3-18-30(39)21-17-23-35-34(46-35)22-14-10-8-12-15-24-36(42)44-29-33(28-38)45-37(43)25-16-11-7-5-6-9-13-20-32(41)27-26-31(40)19-4-2/h13,20,26-27,30-35,38-41H,3-12,14-19,21-25,28-29H2,1-2H3/b20-13?,27-26?/t30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:18][CH:30]([CH2:21][CH2:17][CH2:23][CH:35]1[CH:34]([CH2:22][CH2:14][CH2:10][CH2:8][CH2:12][CH2:15][CH2:24][C:36](=[O:42])[O:44][CH2:29][CH:33]([CH2:28][OH:38])[O:45][C:37]([CH2:25][CH2:16][CH2:11][CH2:7][CH2:5][CH2:6][CH2:9][CH:13]=[CH:20][CH:32]([CH:27]=[CH:26][CH:31]([CH2:19][CH2:4][CH3:2])[OH:40])[OH:41])=[O:43])[O:46]1)[OH:39] |
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