| Properties | Image |
|---|
| MNX_ID | MNXM1187931 |
 |
| reference | envipathM:...a912c8f45641 |
| formula | C37H62O11 |
| global charge | 0 |
| mol weight | 682.892 |
| InChIKey | NEQFMHHTSOPPKF-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H62O11/c1-3-5-7-9-12-20-29-30(46-29)21-13-10-8-11-14-22-34(41)44-24-26(38)25-45-37(43)35(42)27(39)17-15-16-18-28(40)36-33(48-36)23-32-31(47-32)19-6-4-2/h9,12,26,28-33,35-36,38,40,42H,3-8,10-11,13-25H2,1-2H3 |
| SMILES | CCCCC=CCC1OC1CCCCCCCC(=O)OCC(O)COC(=O)C(O)C(=O)CCCCC(O)C1OC1CC1OC1CCCC |
MNX internals
| InChI (mnx) | InChI=1/C37H62O11/c1-3-5-7-9-12-20-29-30(46-29)21-13-10-8-11-14-22-34(41)44-24-26(38)25-45-37(43)35(42)27(39)17-15-16-18-28(40)36-33(48-36)23-32-31(47-32)19-6-4-2/h9,12,26,28-33,35-36,38,40,42H,3-8,10-11,13-25H2,1-2H3/b12-9?/t26?,28?,29?,30?,31?,32?,33?,35?,36? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:7][CH:9]=[CH:12][CH2:20][CH:29]1[CH:30]([CH2:21][CH2:13][CH2:10][CH2:8][CH2:11][CH2:14][CH2:22][C:34](=[O:41])[O:44][CH2:24][CH:26]([CH2:25][O:45][C:37]([CH:35]([C:27]([CH2:17][CH2:15][CH2:16][CH2:18][CH:28]([CH:36]2[CH:33]([CH2:23][CH:32]3[CH:31]([CH2:19][CH2:6][CH2:4][CH3:2])[O:47]3)[O:48]2)[OH:40])=[O:39])[OH:42])=[O:43])[OH:38])[O:46]1 |
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