| Properties | Image |
|---|
| MNX_ID | MNXM1272212 |
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| reference | envipathM:...bed85b59201e |
| formula | C37H66O12 |
| global charge | 0 |
| mol weight | 702.923 |
| InChIKey | TWENKIPGTJWYGX-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O12/c1-3-5-18-32-33(48-32)23-31(43)28(40)16-11-7-6-8-13-19-34(44)46-24-27(39)25-47-35(45)20-14-10-9-12-17-29(41)36-37(49-36)30(42)22-21-26(38)15-4-2/h21-22,26-33,36-43H,3-20,23-25H2,1-2H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC(O)C1OC1C(O)C=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O12/c1-3-5-18-32-33(48-32)23-31(43)28(40)16-11-7-6-8-13-19-34(44)46-24-27(39)25-47-35(45)20-14-10-9-12-17-29(41)36-37(49-36)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][CH2:18][CH:32]1[CH:33]([CH2:23][CH:31]([CH:28]([CH2:16][CH2:11][CH2:7][CH2:6][CH2:8][CH2:13][CH2:19][C:34](=[O:44])[O:46][CH2:24][CH:27]([CH2:25][O:47][C:35]([CH2:20][CH2:14][CH2:10][CH2:9][CH2:12][CH2:17][CH:29]([CH:36]2[CH:37]([CH:30]([CH:22]=[CH:21][CH:26]([CH2:15][CH2:4][CH3:2])[OH:38])[OH:42])[O:49]2)[OH:41])=[O:45])[OH:39])[OH:40])[OH:43])[O:48]1 |
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