| Properties | Image |
|---|
| MNX_ID | MNXM1179818 |
 |
| reference | envipathM:...44992671e03a |
| formula | C37H66O11 |
| global charge | 0 |
| mol weight | 686.924 |
| InChIKey | JRYRNUCVNGXPNC-UHFFFAOYSA-N |
| InChI | InChI=1S/C37H66O11/c1-3-5-20-34-35(48-34)24-31(42)29(40)18-11-7-6-8-14-23-36(43)45-25-28(39)26-46-37(44)30(41)19-12-9-10-13-21-32-33(47-32)22-15-17-27(38)16-4-2/h15,17,27-35,38-42H,3-14,16,18-26H2,1-2H3 |
| SMILES | CCCCC1OC1CC(O)C(O)CCCCCCCC(=O)OCC(O)COC(=O)C(O)CCCCCCC1OC1CC=CC(O)CCC |
MNX internals
| InChI (mnx) | InChI=1/C37H66O11/c1-3-5-20-34-35(48-34)24-31(42)29(40)18-11-7-6-8-14-23-36(43)45-25-28(39)26-46-37(44)30(41)19-12-9-10-13-21-32-33(47-32)22-15-17-27(38)16-4-2/h15,17,27-35,38-42H,3-14,16,18-26H2,1-2H3/b17-15?/t27?,28?,29?,30?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:5][CH2:20][CH:34]1[CH:35]([CH2:24][CH:31]([CH:29]([CH2:18][CH2:11][CH2:7][CH2:6][CH2:8][CH2:14][CH2:23][C:36](=[O:43])[O:45][CH2:25][CH:28]([CH2:26][O:46][C:37]([CH:30]([CH2:19][CH2:12][CH2:9][CH2:10][CH2:13][CH2:21][CH:32]2[CH:33]([CH2:22][CH:15]=[CH:17][CH:27]([CH2:16][CH2:4][CH3:2])[OH:38])[O:47]2)[OH:41])=[O:44])[OH:39])[OH:40])[OH:42])[O:48]1 |
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