| Properties | Image |
|---|
| MNX_ID | MNXM145142 |
 |
| reference | chebi:143066 |
| formula | C39H64O14 |
| global charge | 0 |
| mol weight | 756.927 |
| InChIKey | KWJJIZPJGGHBBX-UHFFFAOYSA-N |
| InChI | InChI=1S/C39H64O14/c1-17-28-26(53-39(17)10-7-19(14-40)16-48-39)12-23-21-6-5-20-11-25(24(42)13-38(20,4)22(21)8-9-37(23,28)3)50-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)18(2)49-35/h17-36,40-47H,5-16H2,1-4H3 |
| SMILES | CC1OC(OC2C(OC3CC4CCC5C(CCC6(C)C5CC5OC7(CCC(CO)CO7)C(C)C56)C4(C)CC3O)OC(CO)C(O)C2O)C(O)C(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C39H64O14/c1-17-28-26(53-39(17)10-7-19(14-40)16-48-39)12-23-21-6-5-20-11-25(24(42)13-38(20,4)22(21)8-9-37(23,28)3)50-36-34(32(46)30(44)27(15-41)51-36)52-35-33(47)31(45)29(43)18(2)49-35/h17-36,40-47H,5-16H2,1-4H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:28]2[CH:26]([CH2:12][CH:23]3[CH:21]4[CH2:6][CH2:5][CH:20]5[CH2:11][CH:25]([O:50][CH:36]6[CH:34]([O:52][CH:35]7[CH:33]([OH:47])[CH:31]([OH:45])[CH:29]([OH:43])[CH:18]([CH3:2])[O:49]7)[CH:32]([OH:46])[CH:30]([OH:44])[CH:27]([CH2:15][OH:41])[O:51]6)[CH:24]([OH:42])[CH2:13][C:38]5([CH3:4])[CH:22]4[CH2:8][CH2:9][C:37]32[CH3:3])[O:53][C:39]12[CH2:10][CH2:7][CH:19]([CH2:14][OH:40])[CH2:16][O:48]2 |
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