| Properties | Image |
|---|
| MNX_ID | MNXM1191547 |
 |
| reference | envipathM:...6e5384921fdf |
| formula | C35H49O13 |
| global charge | -1 |
| mol weight | 677.764 |
| InChIKey | IPUPSSRXILBTOV-UHFFFAOYSA-M |
| InChI | InChI=1S/C35H50O13/c1-17-31(48-30-15-28(41)47-32(42)18(2)45-30)25(37)14-29(44-17)46-21-7-9-33(3)20(12-21)5-6-23-24(33)13-26(38)34(4)22(8-10-35(23,34)43)19(16-36)11-27(39)40/h11,17-18,20-24,28-31,36,41,43H,5-10,12-16H2,1-4H3,(H,39,40)/p-1 |
| SMILES | CC1OC(OC2C(=O)CC(OC3CCC4(C)C(CCC5C4CC(=O)C4(C)C(C(=CC(=O)[O-])CO)CCC54O)C3)OC2C)CC(O)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C35H50O13/c1-17-31(48-30-15-28(41)47-32(42)18(2)45-30)25(37)14-29(44-17)46-21-7-9-33(3)20(12-21)5-6-23-24(33)13-26(38)34(4)22(8-10-35(23,34)43)19(16-36)11-27(39)40/h11,17-18,20-24,28-31,36,41,43H,5-10,12-16H2,1-4H3,(H,39,40)/b19-11?/t17?,18?,20?,21?,22?,23?,24?,28?,29?,30?,31?,33?,34?,35? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:31]([O:48][CH:30]2[CH2:15][CH:28]([OH:41])[O:47][C:32](=[O:42])[CH:18]([CH3:2])[O:45]2)[C:25](=[O:37])[CH2:14][CH:29]([O:46][CH:21]2[CH2:7][CH2:9][C:33]3([CH3:3])[CH:20]([CH2:5][CH2:6][CH:23]4[CH:24]3[CH2:13][C:26](=[O:38])[C:34]3([CH3:4])[CH:22]([C:19](=[CH:11][C:27](=[O:39])[OH:40])[CH2:16][OH:36])[CH2:8][CH2:10][C:35]43[OH:43])[CH2:12]2)[O:44]1 |
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