| Properties | Image |
|---|
| MNX_ID | MNXM1186326 |
 |
| reference | envipathM:...ddecc4d2f770 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | RKGMOMNKVJPTDA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-18-24(25-13-32(47)55-39(25)49)6-7-31(46)41(50)11-8-22-12-23(9-10-40(22,5)30(41)14-26(18)42)54-33-16-28(44)37(20(3)52-33)57-35-17-29(45)38(21(4)53-35)56-34-15-27(43)36(48)19(2)51-34/h13,18-24,27-30,33-39,43-45,48-50H,6-12,14-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6(O)C(=O)CCC(C7=CC(=O)OC7O)C(C)C(=O)CC65)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-18-24(25-13-32(47)55-39(25)49)6-7-31(46)41(50)11-8-22-12-23(9-10-40(22,5)30(41)14-26(18)42)54-33-16-28(44)37(20(3)52-33)57-35-17-29(45)38(21(4)53-35)56-34-15-27(43)36(48)19(2)51-34/h13,18-24,27-30,33-39,43-45,48-50H,6-12,14-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,27?,28?,29?,30?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:24]([C:25]2=[CH:13][C:32](=[O:47])[O:55][CH:39]2[OH:49])[CH2:6][CH2:7][C:31](=[O:46])[C:41]2([OH:50])[CH2:11][CH2:8][CH:22]3[CH2:12][CH:23]([O:54][CH:33]4[CH2:16][CH:28]([OH:44])[CH:37]([O:57][CH:35]5[CH2:17][CH:29]([OH:45])[CH:38]([O:56][CH:34]6[CH2:15][CH:27]([OH:43])[CH:36]([OH:48])[CH:19]([CH3:2])[O:51]6)[CH:21]([CH3:4])[O:53]5)[CH:20]([CH3:3])[O:52]4)[CH2:9][CH2:10][C:40]3([CH3:5])[CH:30]2[CH2:14][C:26]1=[O:42] |
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