| Properties | Image |
|---|
| MNX_ID | MNXM1196419 |
 |
| reference | envipathM:...de78764481e3 |
| formula | C35H49O13 |
| global charge | -1 |
| mol weight | 677.764 |
| InChIKey | MHDZWEVTGQRLKY-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H50O13/c1-17-30(42)23(37)13-29(45-17)48-31-18(2)46-28(14-24(31)38)47-21-6-8-32(3)20(12-21)5-9-34(43)25(32)15-26(39)33(4)22(7-10-35(33,34)44)19(16-36)11-27(40)41/h11,17-18,20-22,25-26,28-29,31,36,39,43-44H,5-10,12-16H2,1-4H3,(H,40,41)/p-1 |
| SMILES | CC1OC(OC2C(=O)CC(OC3CCC4(C)C(CCC5(O)C4CC(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(42)23(37)13-29(45-17)48-31-18(2)46-28(14-24(31)38)47-21-6-8-32(3)20(12-21)5-9-34(43)25(32)15-26(39)33(4)22(7-10-35(33,34)44)19(16-36)11-27(40)41/h11,17-18,20-22,25-26,28-29,31,36,39,43-44H,5-10,12-16H2,1-4H3,(H,40,41)/b19-11?/t17?,18?,20?,21?,22?,25?,26?,28?,29?,31?,32?,33?,34?,35? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[C:30](=[O:42])[C:23](=[O:37])[CH2:13][CH:29]([O:48][CH:31]2[CH:18]([CH3:2])[O:46][CH:28]([O:47][CH:21]3[CH2:6][CH2:8][C:32]4([CH3:3])[CH:20]([CH2:5][CH2:9][C:34]5([OH:43])[CH:25]4[CH2:15][CH:26]([OH:39])[C:33]4([CH3:4])[CH:22]([C:19](=[CH:11][C:27](=[O:40])[OH:41])[CH2:16][OH:36])[CH2:7][CH2:10][C:35]45[OH:44])[CH2:12]3)[CH2:14][C:24]2=[O:38])[O:45]1 |
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