| Properties | Image |
|---|
| MNX_ID | MNXM1194839 |
 |
| reference | envipathM:...8d4bec95e717 |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | NFBPUXMXTQYHIP-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-3-5-23-32-34(45-32)26-35-33(46-35)24-18-14-11-15-19-25-36(41)43-28-30(27-38)44-37(42)31(40)22-17-13-10-8-6-7-9-12-16-21-29(39)20-4-2/h7,9,16,21,27,29-35,39-40H,3-6,8,10-15,17-20,22-26,28H2,1-2H3 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(C=O)OC(=O)C(O)CCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-5-23-32-34(45-32)26-35-33(46-35)24-18-14-11-15-19-25-36(41)43-28-30(27-38)44-37(42)31(40)22-17-13-10-8-6-7-9-12-16-21-29(39)20-4-2/h7,9,16,21,27,29-35,39-40H,3-6,8,10-15,17-20,22-26,28H2,1-2H3/b9-7?,21-16?/t29?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:23][CH:32]1[CH:34]([CH2:26][CH:35]2[CH:33]([CH2:24][CH2:18][CH2:14][CH2:11][CH2:15][CH2:19][CH2:25][C:36](=[O:41])[O:43][CH2:28][CH:30]([CH:27]=[O:38])[O:44][C:37]([CH:31]([CH2:22][CH2:17][CH2:13][CH2:10][CH2:8][CH2:6][CH:7]=[CH:9][CH2:12][CH:16]=[CH:21][CH:29]([CH2:20][CH2:4][CH3:2])[OH:39])[OH:40])=[O:42])[O:46]2)[O:45]1 |
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