| Properties | Image |
|---|
| MNX_ID | MNXM1138856 |
 |
| reference | envipathM:...13bb714f392e |
| formula | C37H66O11 |
| global charge | 0 |
| mol weight | 686.924 |
| InChIKey | AGUCMEINJQUMCM-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O11/c1-3-5-22-32-33(48-32)25-31(41)37(45)36(44)30(40)21-16-14-18-23-34(42)46-27-29(26-38)47-35(43)24-17-13-11-9-7-6-8-10-12-15-20-28(39)19-4-2/h8,10,15,20,28-33,36-41,44-45H,3-7,9,11-14,16-19,21-27H2,1-2H3 |
| SMILES | CCCCC1OC1CC(O)C(O)C(O)C(O)CCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O11/c1-3-5-22-32-33(48-32)25-31(41)37(45)36(44)30(40)21-16-14-18-23-34(42)46-27-29(26-38)47-35(43)24-17-13-11-9-7-6-8-10-12-15-20-28(39)19-4-2/h8,10,15,20,28-33,36-41,44-45H,3-7,9,11-14,16-19,21-27H2,1-2H3/b10-8?,20-15?/t28?,29?,30?,31?,32?,33?,36?,37? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:22][CH:32]1[CH:33]([CH2:25][CH:31]([CH:37]([CH:36]([CH:30]([CH2:21][CH2:16][CH2:14][CH2:18][CH2:23][C:34](=[O:42])[O:46][CH2:27][CH:29]([CH2:26][OH:38])[O:47][C:35]([CH2:24][CH2:17][CH2:13][CH2:11][CH2:9][CH2:7][CH2:6][CH:8]=[CH:10][CH2:12][CH:15]=[CH:20][CH:28]([CH2:19][CH2:4][CH3:2])[OH:39])=[O:43])[OH:40])[OH:44])[OH:45])[OH:41])[O:48]1 |
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