| Properties | Image |
|---|
| MNX_ID | MNXM1176085 |
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| reference | envipathM:...997e9b7d58ee |
| formula | C37H66O12 |
| global charge | 0 |
| mol weight | 702.923 |
| InChIKey | FFNZRIBBEMDFFO-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O12/c1-2-15-27(39)16-14-21-33-32(48-33)19-10-4-3-5-11-22-36(44)46-25-28(40)26-47-37(45)30(42)18-9-7-6-8-17-29(41)31(43)24-35-34(49-35)20-12-13-23-38/h14,16,27-35,38-43H,2-13,15,17-26H2,1H3 |
| SMILES | CCCC(O)C=CCC1OC1CCCCCCCC(=O)OCC(O)COC(=O)C(O)CCCCCCC(O)C(O)CC1OC1CCCCO |
MNX internals
| InChI (mnx) | InChI=1/C37H66O12/c1-2-15-27(39)16-14-21-33-32(48-33)19-10-4-3-5-11-22-36(44)46-25-28(40)26-47-37(45)30(42)18-9-7-6-8-17-29(41)31(43)24-35-34(49-35)20-12-13-23-38/h14,16,27-35,38-43H,2-13,15,17-26H2,1H3/b16-14?/t27?,28?,29?,30?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:15][CH:27]([CH:16]=[CH:14][CH2:21][CH:33]1[CH:32]([CH2:19][CH2:10][CH2:4][CH2:3][CH2:5][CH2:11][CH2:22][C:36](=[O:44])[O:46][CH2:25][CH:28]([CH2:26][O:47][C:37]([CH:30]([CH2:18][CH2:9][CH2:7][CH2:6][CH2:8][CH2:17][CH:29]([CH:31]([CH2:24][CH:35]2[CH:34]([CH2:20][CH2:12][CH2:13][CH2:23][OH:38])[O:49]2)[OH:43])[OH:41])[OH:42])=[O:45])[OH:40])[O:48]1)[OH:39] |
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