| Properties | Image |
|---|
| MNX_ID | MNXM1189342 |
 |
| reference | envipathM:...385632575dcc |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | XFQCXBVAEBUELO-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-17-34(49)25(43)11-32(54-17)58-36-19(3)56-33(13-27(36)45)59-35-18(2)55-31(12-26(35)44)57-20-6-7-37(4)21-10-28(46)38(5)40(51,22(21)9-24(42)23(37)8-20)14-29(47)41(38,52)39(50)15-30(48)53-16-39/h17-29,31-36,42-47,49-52H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(O)C5(C)C4(O)CC(O)C5(O)C4(O)COC(=O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-17-34(49)25(43)11-32(54-17)58-36-19(3)56-33(13-27(36)45)59-35-18(2)55-31(12-26(35)44)57-20-6-7-37(4)21-10-28(46)38(5)40(51,22(21)9-24(42)23(37)8-20)14-29(47)41(38,52)39(50)15-30(48)53-16-39/h17-29,31-36,42-47,49-52H,6-16H2,1-5H3/t17?,18?,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:17]1[CH:34]([OH:49])[CH:25]([OH:43])[CH2:11][CH:32]([O:58][CH:36]2[CH:19]([CH3:3])[O:56][CH:33]([O:59][CH:35]3[CH:18]([CH3:2])[O:55][CH:31]([O:57][CH:20]4[CH2:6][CH2:7][C:37]5([CH3:4])[CH:21]6[CH2:10][CH:28]([OH:46])[C:38]7([CH3:5])[C:40]([OH:51])([CH2:14][CH:29]([OH:47])[C:41]7([C:39]7([OH:50])[CH2:15][C:30](=[O:48])[O:53][CH2:16]7)[OH:52])[CH:22]6[CH2:9][CH:24]([OH:42])[CH:23]5[CH2:8]4)[CH2:12][CH:26]3[OH:44])[CH2:13][CH:27]2[OH:45])[O:54]1 |
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