| Properties | Image |
|---|
| MNX_ID | MNXM1179895 |
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| reference | envipathM:...dbf35c20b81d |
| formula | C37H66O12 |
| global charge | 0 |
| mol weight | 702.923 |
| InChIKey | IADPHYHGSIJYER-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O12/c1-3-5-16-28(40)31(43)23-33-37(49-33)29(41)17-11-9-10-14-20-35(45)47-25-27(39)24-46-34(44)19-13-8-6-7-12-18-32-36(48-32)30(42)22-21-26(38)15-4-2/h21-22,26-33,36-43H,3-20,23-25H2,1-2H3 |
| SMILES | CCCCC(O)C(O)CC1OC1C(O)CCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1C(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O12/c1-3-5-16-28(40)31(43)23-33-37(49-33)29(41)17-11-9-10-14-20-35(45)47-25-27(39)24-46-34(44)19-13-8-6-7-12-18-32-36(48-32)30(42)22-21-26(38)15-4-2/h21-22,26-33,36-43H,3-20,23-25H2,1-2H3/b22-21?/t26?,27?,28?,29?,30?,31?,32?,33?,36?,37? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:16][CH:28]([CH:31]([CH2:23][CH:33]1[CH:37]([CH:29]([CH2:17][CH2:11][CH2:9][CH2:10][CH2:14][CH2:20][C:35](=[O:45])[O:47][CH2:25][CH:27]([CH2:24][O:46][C:34]([CH2:19][CH2:13][CH2:8][CH2:6][CH2:7][CH2:12][CH2:18][CH:32]2[CH:36]([CH:30]([CH:22]=[CH:21][CH:26]([CH2:15][CH2:4][CH3:2])[OH:38])[OH:42])[O:48]2)=[O:44])[OH:39])[OH:41])[O:49]1)[OH:43])[OH:40] |
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