| Properties | Image |
|---|
| MNX_ID | MNXM1183936 |
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| reference | envipathM:...6cc77441bcc3 |
| formula | C37H66O9 |
| global charge | 0 |
| mol weight | 654.926 |
| InChIKey | OQSJLZBRBUDWOB-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O9/c1-3-5-7-12-18-24-34(41)35(42)25-19-14-11-16-20-26-36(43)45-30-33(29-38)46-37(44)27-21-15-10-8-9-13-17-23-32(40)28-31(39)22-6-4-2/h12,17-18,23,31,33-35,38-39,41-42H,3-11,13-16,19-22,24-30H2,1-2H3 |
| SMILES | CCCCC=CCC(O)C(O)CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CC(=O)CC(O)CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O9/c1-3-5-7-12-18-24-34(41)35(42)25-19-14-11-16-20-26-36(43)45-30-33(29-38)46-37(44)27-21-15-10-8-9-13-17-23-32(40)28-31(39)22-6-4-2/h12,17-18,23,31,33-35,38-39,41-42H,3-11,13-16,19-22,24-30H2,1-2H3/b18-12?,23-17?/t31?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:12]=[CH:18][CH2:24][CH:34]([CH:35]([CH2:25][CH2:19][CH2:14][CH2:11][CH2:16][CH2:20][CH2:26][C:36](=[O:43])[O:45][CH2:30][CH:33]([CH2:29][OH:38])[O:46][C:37]([CH2:27][CH2:21][CH2:15][CH2:10][CH2:8][CH2:9][CH2:13][CH:17]=[CH:23][C:32]([CH2:28][CH:31]([CH2:22][CH2:6][CH2:4][CH3:2])[OH:39])=[O:40])=[O:44])[OH:42])[OH:41] |
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