| Properties | Image |
|---|
| MNX_ID | MNXM1171078 |
 |
| reference | envipathM:...0aa7ec1a4d2d |
| formula | C37H62O9 |
| global charge | 0 |
| mol weight | 650.894 |
| InChIKey | ZOOXLSZCWKDETG-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O9/c1-3-5-6-7-8-9-10-11-12-13-15-18-24-32(40)36(42)37(43)45-31(28-38)29-44-35(41)27-20-17-14-16-19-25-33-34(46-33)26-21-23-30(39)22-4-2/h7-8,10-11,21,23,30-34,38-40H,3-6,9,12-20,22,24-29H2,1-2H3 |
| SMILES | CCCCC=CCC=CCCCCCC(O)C(=O)C(=O)OC(CO)COC(=O)CCCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O9/c1-3-5-6-7-8-9-10-11-12-13-15-18-24-32(40)36(42)37(43)45-31(28-38)29-44-35(41)27-20-17-14-16-19-25-33-34(46-33)26-21-23-30(39)22-4-2/h7-8,10-11,21,23,30-34,38-40H,3-6,9,12-20,22,24-29H2,1-2H3/b8-7?,11-10?,23-21?/t30?,31?,32?,33?,34? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:6][CH:7]=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13][CH2:15][CH2:18][CH2:24][CH:32]([C:36]([C:37](=[O:43])[O:45][CH:31]([CH2:28][OH:38])[CH2:29][O:44][C:35]([CH2:27][CH2:20][CH2:17][CH2:14][CH2:16][CH2:19][CH2:25][CH:33]1[CH:34]([CH2:26][CH:21]=[CH:23][CH:30]([CH2:22][CH2:4][CH3:2])[OH:39])[O:46]1)=[O:41])=[O:42])[OH:40] |
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