| Properties | Image |
|---|
| MNX_ID | MNXM1196894 |
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| reference | envipathM:...f50b1533d7a1 |
| formula | C41H70O14 |
| global charge | -2 |
| mol weight | 786.997 |
| InChIKey | GSCUVUGIWDZQOD-UHFFFAOYSA-L |
| InChI | InChI=1S/C41H72O14/c1-2-3-20-34-36(54-34)25-37-35(55-37)21-14-7-5-9-16-23-40(49)53-28-30(43)27-52-39(48)22-15-8-4-6-12-18-32(44)33(45)19-13-10-11-17-29(26-42)31(41(50)51)24-38(46)47/h29-37,42-45H,2-28H2,1H3,(H,46,47)(H,50,51)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCC(O)C(O)CCCCCC(CO)C(CC(=O)[O-])C(=O)[O-] |
MNX internals
| InChI (mnx) | InChI=1/C41H72O14/c1-2-3-20-34-36(54-34)25-37-35(55-37)21-14-7-5-9-16-23-40(49)53-28-30(43)27-52-39(48)22-15-8-4-6-12-18-32(44)33(45)19-13-10-11-17-29(26-42)31(41(50)51)24-38(46)47/h29-37,42-45H,2-28H2,1H3,(H,46,47)(H,50,51)/t29?,30?,31?,32?,33?,34?,35?,36?,37? |
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| SMILES (mnx) | [CH3:1][CH2:2][CH2:3][CH2:20][CH:34]1[CH:36]([CH2:25][CH:37]2[CH:35]([CH2:21][CH2:14][CH2:7][CH2:5][CH2:9][CH2:16][CH2:23][C:40](=[O:49])[O:53][CH2:28][CH:30]([CH2:27][O:52][C:39]([CH2:22][CH2:15][CH2:8][CH2:4][CH2:6][CH2:12][CH2:18][CH:32]([CH:33]([CH2:19][CH2:13][CH2:10][CH2:11][CH2:17][CH:29]([CH2:26][OH:42])[CH:31]([CH2:24][C:38](=[O:46])[OH:47])[C:41](=[O:50])[OH:51])[OH:45])[OH:44])=[O:48])[OH:43])[O:55]2)[O:54]1 |
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