| Properties | Image |
|---|
| MNX_ID | MNXM1178353 |
 |
| reference | envipathM:...afed0ce71269 |
| formula | C41H70O14 |
| global charge | -2 |
| mol weight | 786.997 |
| InChIKey | KKPHPPJYVGJBIL-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H72O14/c1-3-4-19-30(43)31(44)25-35-34(55-35)22-14-8-6-10-17-24-37(46)53-27-29(42)26-52-36(45)23-16-9-5-7-13-20-32-33(54-32)21-15-11-12-18-28(2)38(40(48)49)39(47)41(50)51/h28-35,38-39,42-44,47H,3-27H2,1-2H3,(H,48,49)(H,50,51)/p-2 |
| SMILES | CCCCC(O)C(O)CC1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC1OC1CCCCCC(C)C(C(=O)[O-])C(O)C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C41H72O14/c1-3-4-19-30(43)31(44)25-35-34(55-35)22-14-8-6-10-17-24-37(46)53-27-29(42)26-52-36(45)23-16-9-5-7-13-20-32-33(54-32)21-15-11-12-18-28(2)38(40(48)49)39(47)41(50)51/h28-35,38-39,42-44,47H,3-27H2,1-2H3,(H,48,49)(H,50,51)/t28?,29?,30?,31?,32?,33?,34?,35?,38?,39? |
 |
| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:19][CH:30]([CH:31]([CH2:25][CH:35]1[CH:34]([CH2:22][CH2:14][CH2:8][CH2:6][CH2:10][CH2:17][CH2:24][C:37](=[O:46])[O:53][CH2:27][CH:29]([CH2:26][O:52][C:36]([CH2:23][CH2:16][CH2:9][CH2:5][CH2:7][CH2:13][CH2:20][CH:32]2[CH:33]([CH2:21][CH2:15][CH2:11][CH2:12][CH2:18][CH:28]([CH3:2])[CH:38]([CH:39]([C:41](=[O:50])[OH:51])[OH:47])[C:40](=[O:48])[OH:49])[O:54]2)=[O:45])[OH:42])[O:55]1)[OH:44])[OH:43] |
|