| Properties | Image |
|---|
| MNX_ID | MNXM1181417 |
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| reference | envipathM:...f7c2e7c999ac |
| formula | C37H64O11 |
| global charge | 0 |
| mol weight | 684.908 |
| InChIKey | DQAYBLCIBYMNDA-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H64O11/c1-3-5-17-29(40)31(42)24-34-32(47-34)18-12-8-6-10-14-20-35(43)45-25-28(39)26-46-36(44)21-15-11-7-9-13-19-33-37(48-33)30(41)23-22-27(38)16-4-2/h22-23,27-30,32-34,37-41H,3-21,24-26H2,1-2H3 |
| SMILES | CCCCC(O)C(=O)CC1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H64O11/c1-3-5-17-29(40)31(42)24-34-32(47-34)18-12-8-6-10-14-20-35(43)45-25-28(39)26-46-36(44)21-15-11-7-9-13-19-33-37(48-33)30(41)23-22-27(38)16-4-2/h22-23,27-30,32-34,37-41H,3-21,24-26H2,1-2H3/b23-22?/t27?,28?,29?,30?,32?,33?,34?,37? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:17][CH:29]([C:31]([CH2:24][CH:34]1[CH:32]([CH2:18][CH2:12][CH2:8][CH2:6][CH2:10][CH2:14][CH2:20][C:35](=[O:43])[O:45][CH2:25][CH:28]([CH2:26][O:46][C:36]([CH2:21][CH2:15][CH2:11][CH2:7][CH2:9][CH2:13][CH2:19][CH:33]2[CH:37]([CH:30]([CH:23]=[CH:22][CH:27]([CH2:16][CH2:4][CH3:2])[OH:38])[OH:41])[O:48]2)=[O:44])[OH:39])[O:47]1)=[O:42])[OH:40] |
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