| Properties | Image |
|---|
| MNX_ID | MNXM1196043 |
 |
| reference | envipathM:...d181407828bd |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | DUFXTGQAODJUGV-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-18-34(49)22(43)11-32(54-18)59-36-24(45)13-33(57-25(36)16-42)58-35-19(2)55-31(12-23(35)44)56-21-5-7-37(3)20(9-21)10-29(47)41(52)27(37)14-28(46)38(4)26(6-8-40(38,41)51)39(50)15-30(48)53-17-39/h18-29,31-33,35-36,42-47,50-52H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4(O)C5CC(O)C5(C)C(C6(O)COC(=O)C6)CCC54O)OC3C)OC2CO)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-18-34(49)22(43)11-32(54-18)59-36-24(45)13-33(57-25(36)16-42)58-35-19(2)55-31(12-23(35)44)56-21-5-7-37(3)20(9-21)10-29(47)41(52)27(37)14-28(46)38(4)26(6-8-40(38,41)51)39(50)15-30(48)53-17-39/h18-29,31-33,35-36,42-47,50-52H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:34](=[O:49])[CH:22]([OH:43])[CH2:11][CH:32]([O:59][CH:36]2[CH:24]([OH:45])[CH2:13][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:55][CH:31]([O:56][CH:21]4[CH2:5][CH2:7][C:37]5([CH3:3])[CH:20]([CH2:9]4)[CH2:10][CH:29]([OH:47])[C:41]4([OH:52])[CH:27]5[CH2:14][CH:28]([OH:46])[C:38]5([CH3:4])[CH:26]([C:39]6([OH:50])[CH2:15][C:30](=[O:48])[O:53][CH2:17]6)[CH2:6][CH2:8][C:40]54[OH:51])[CH2:12][CH:23]3[OH:44])[O:57][CH:25]2[CH2:16][OH:42])[O:54]1 |
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