| Properties | Image |
|---|
| MNX_ID | MNXM1193047 |
 |
| reference | envipathM:...8c9901e9348b |
| formula | C41H66O13 |
| global charge | -2 |
| mol weight | 766.966 |
| InChIKey | IEPNUQDVDFXGBR-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H68O13/c1-3-17-31(43)40-36(54-40)25-35-34(53-35)21-13-7-5-9-16-23-39(47)51-27-29(42)26-50-38(46)22-15-8-4-6-12-19-32-33(52-32)20-14-10-11-18-28(2)30(41(48)49)24-37(44)45/h28-30,32-36,40,42H,3-27H2,1-2H3,(H,44,45)(H,48,49)/p-2 |
| SMILES | CCCC(=O)C1OC1CC1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1CCCCCC(C)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C41H68O13/c1-3-17-31(43)40-36(54-40)25-35-34(53-35)21-13-7-5-9-16-23-39(47)51-27-29(42)26-50-38(46)22-15-8-4-6-12-19-32-33(52-32)20-14-10-11-18-28(2)30(41(48)49)24-37(44)45/h28-30,32-36,40,42H,3-27H2,1-2H3,(H,44,45)(H,48,49)/t28?,29?,30?,32?,33?,34?,35?,36?,40? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:17][C:31]([CH:40]1[CH:36]([CH2:25][CH:35]2[CH:34]([CH2:21][CH2:13][CH2:7][CH2:5][CH2:9][CH2:16][CH2:23][C:39](=[O:47])[O:51][CH2:27][CH:29]([CH2:26][O:50][C:38]([CH2:22][CH2:15][CH2:8][CH2:4][CH2:6][CH2:12][CH2:19][CH:32]3[CH:33]([CH2:20][CH2:14][CH2:10][CH2:11][CH2:18][CH:28]([CH3:2])[CH:30]([CH2:24][C:37](=[O:44])[OH:45])[C:41](=[O:48])[OH:49])[O:52]3)=[O:46])[OH:42])[O:53]2)[O:54]1)=[O:43] |
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