| Properties | Image |
|---|
| MNX_ID | MNXM1196262 |
 |
| reference | envipathM:...7bab1e90bdc1 |
| formula | C35H49O13 |
| global charge | -1 |
| mol weight | 677.764 |
| InChIKey | DRHPBWONSIWQEH-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H50O13/c1-17-30(41)25(37)13-29(45-17)48-31-18(2)46-28(14-26(31)38)47-21-7-9-33(3)20(12-21)5-6-23-24(33)16-44-32(42)34(4)22(8-10-35(23,34)43)19(15-36)11-27(39)40/h11,17-18,20-24,26,28-29,31,36,38,43H,5-10,12-16H2,1-4H3,(H,39,40)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CCC5C4COC(=O)C4(C)C(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C)CC(=O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H50O13/c1-17-30(41)25(37)13-29(45-17)48-31-18(2)46-28(14-26(31)38)47-21-7-9-33(3)20(12-21)5-6-23-24(33)16-44-32(42)34(4)22(8-10-35(23,34)43)19(15-36)11-27(39)40/h11,17-18,20-24,26,28-29,31,36,38,43H,5-10,12-16H2,1-4H3,(H,39,40)/b19-11?/t17?,18?,20?,21?,22?,23?,24?,26?,28?,29?,31?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[C:30](=[O:41])[C:25](=[O:37])[CH2:13][CH:29]([O:48][CH:31]2[CH:18]([CH3:2])[O:46][CH:28]([O:47][CH:21]3[CH2:7][CH2:9][C:33]4([CH3:3])[CH:20]([CH2:5][CH2:6][CH:23]5[CH:24]4[CH2:16][O:44][C:32](=[O:42])[C:34]4([CH3:4])[CH:22]([C:19](=[CH:11][C:27](=[O:39])[OH:40])[CH2:15][OH:36])[CH2:8][CH2:10][C:35]54[OH:43])[CH2:12]3)[CH2:14][CH:26]2[OH:38])[O:45]1 |
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