| Properties | Image |
|---|
| MNX_ID | MNXM1173855 |
 |
| reference | envipathM:...4dd7918de5e7 |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | IUKXPNWFAQCSRB-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-3-20-29(39)22-16-12-9-7-5-6-8-10-14-19-25-36(42)44-30(27-38)28-43-35(41)24-18-15-11-13-17-23-32-33(45-32)26-34-37(46-34)31(40)21-4-2/h7,9,16,22,27,29-34,37,39-40H,3-6,8,10-15,17-21,23-26,28H2,1-2H3 |
| SMILES | CCCC(O)C=CCC=CCCCCCCCC(=O)OC(C=O)COC(=O)CCCCCCCC1OC1CC1OC1C(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-20-29(39)22-16-12-9-7-5-6-8-10-14-19-25-36(42)44-30(27-38)28-43-35(41)24-18-15-11-13-17-23-32-33(45-32)26-34-37(46-34)31(40)21-4-2/h7,9,16,22,27,29-34,37,39-40H,3-6,8,10-15,17-21,23-26,28H2,1-2H3/b9-7?,22-16?/t29?,30?,31?,32?,33?,34?,37? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:20][CH:29]([CH:22]=[CH:16][CH2:12][CH:9]=[CH:7][CH2:5][CH2:6][CH2:8][CH2:10][CH2:14][CH2:19][CH2:25][C:36](=[O:42])[O:44][CH:30]([CH:27]=[O:38])[CH2:28][O:43][C:35]([CH2:24][CH2:18][CH2:15][CH2:11][CH2:13][CH2:17][CH2:23][CH:32]1[CH:33]([CH2:26][CH:34]2[CH:37]([CH:31]([CH2:21][CH2:4][CH3:2])[OH:40])[O:46]2)[O:45]1)=[O:41])[OH:39] |
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