| Properties | Image |
|---|
| MNX_ID | MNXM1194914 |
 |
| reference | envipathM:...be60f4c9000d |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | WEOKJKJJNQDOBP-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-18-34(49)24(44)12-32(54-18)59-36-26(46)14-33(57-27(36)16-42)58-35-19(2)55-31(13-25(35)45)56-21-5-6-37(3)22(10-21)23(43)11-28-40(51)8-7-39(50,20-9-30(48)53-17-20)38(40,4)29(47)15-41(28,37)52/h18-29,31-36,42-47,49-52H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5(O)CC(O)C5(C)C(O)(C6COC(=O)C6)CCC45O)OC3C)OC2CO)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-18-34(49)24(44)12-32(54-18)59-36-26(46)14-33(57-27(36)16-42)58-35-19(2)55-31(13-25(35)45)56-21-5-6-37(3)22(10-21)23(43)11-28-40(51)8-7-39(50,20-9-30(48)53-17-20)38(40,4)29(47)15-41(28,37)52/h18-29,31-36,42-47,49-52H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:49])[CH:24]([OH:44])[CH2:12][CH:32]([O:59][CH:36]2[CH:26]([OH:46])[CH2:14][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:55][CH:31]([O:56][CH:21]4[CH2:5][CH2:6][C:37]5([CH3:3])[CH:22]([CH2:10]4)[CH:23]([OH:43])[CH2:11][CH:28]4[C:40]6([OH:51])[CH2:8][CH2:7][C:39]([CH:20]7[CH2:9][C:30](=[O:48])[O:53][CH2:17]7)([OH:50])[C:38]6([CH3:4])[CH:29]([OH:47])[CH2:15][C:41]45[OH:52])[CH2:13][CH:25]3[OH:45])[O:57][CH:27]2[CH2:16][OH:42])[O:54]1 |
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