| Properties | Image |
|---|
| MNX_ID | MNXM1192157 |
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| reference | envipathM:...a9c486221f4c |
| formula | C37H66O12 |
| global charge | 0 |
| mol weight | 702.923 |
| InChIKey | KRTVYXQHEHHMRN-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O12/c1-2-3-17-29(41)31(43)23-35-34(49-35)21-13-8-7-11-18-30(42)37(45)47-26-28(40)25-46-36(44)22-15-6-4-5-12-19-32-33(48-32)20-14-9-10-16-27(39)24-38/h9,14,27-35,38-43H,2-8,10-13,15-26H2,1H3 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCC(O)C(=O)OCC(O)COC(=O)CCCCCCCC1OC1CC=CCCC(O)CO |
MNX internals
| InChI (mnx) | InChI=1/C37H66O12/c1-2-3-17-29(41)31(43)23-35-34(49-35)21-13-8-7-11-18-30(42)37(45)47-26-28(40)25-46-36(44)22-15-6-4-5-12-19-32-33(48-32)20-14-9-10-16-27(39)24-38/h9,14,27-35,38-43H,2-8,10-13,15-26H2,1H3/b14-9?/t27?,28?,29?,30?,31?,32?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:17][CH:29]([CH:31]([CH2:23][CH:35]1[CH:34]([CH2:21][CH2:13][CH2:8][CH2:7][CH2:11][CH2:18][CH:30]([C:37](=[O:45])[O:47][CH2:26][CH:28]([CH2:25][O:46][C:36]([CH2:22][CH2:15][CH2:6][CH2:4][CH2:5][CH2:12][CH2:19][CH:32]2[CH:33]([CH2:20][CH:14]=[CH:9][CH2:10][CH2:16][CH:27]([CH2:24][OH:38])[OH:39])[O:48]2)=[O:44])[OH:40])[OH:42])[O:49]1)[OH:43])[OH:41] |
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