| Properties | Image |
|---|
| MNX_ID | MNXM1173727 |
 |
| reference | envipathM:...1a6290049eea |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | MSQPPVGXDUHWJX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-17-35(49)24(42)11-33(53-17)57-37-19(3)55-34(13-26(37)44)58-36-18(2)54-32(12-25(36)43)56-21-9-23-27(45)15-40(50)28(38(23,4)29(46)10-21)14-30(47)39(5)22(6-7-41(39,40)51)20-8-31(48)52-16-20/h17-28,30,32-37,42-45,47,49-51H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(C4)C(O)CC4(O)C5CC(O)C5(C)C(C6COC(=O)C6)CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-17-35(49)24(42)11-33(53-17)57-37-19(3)55-34(13-26(37)44)58-36-18(2)54-32(12-25(36)43)56-21-9-23-27(45)15-40(50)28(38(23,4)29(46)10-21)14-30(47)39(5)22(6-7-41(39,40)51)20-8-31(48)52-16-20/h17-28,30,32-37,42-45,47,49-51H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[CH:24]([OH:42])[CH2:11][CH:33]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:32]([O:56][CH:21]4[CH2:9][CH:23]5[CH:27]([OH:45])[CH2:15][C:40]6([OH:50])[CH:28]([CH2:14][CH:30]([OH:47])[C:39]7([CH3:5])[CH:22]([CH:20]8[CH2:8][C:31](=[O:48])[O:52][CH2:16]8)[CH2:6][CH2:7][C:41]76[OH:51])[C:38]5([CH3:4])[C:29](=[O:46])[CH2:10]4)[CH2:12][CH:25]3[OH:43])[CH2:13][CH:26]2[OH:44])[O:53]1 |
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