| Properties | Image |
|---|
| MNX_ID | MNXM1174234 |
 |
| reference | envipathM:...b7215ef059a8 |
| formula | C41H66O17 |
| global charge | 0 |
| mol weight | 830.962 |
| InChIKey | YZUSJBOURKBLFT-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O17/c1-17-35(49)24(43)12-32(53-17)57-37-19(3)55-33(14-26(37)45)58-36-18(2)54-31(13-25(36)44)56-21-8-20-9-23(42)34-22(38(20,4)28(46)10-21)11-29(47)39(5)27(6-7-41(34,39)51)40(50)15-30(48)52-16-40/h17-29,31-37,42-47,49-51H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C6(O)COC(=O)C6)CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O17/c1-17-35(49)24(43)12-32(53-17)57-37-19(3)55-33(14-26(37)45)58-36-18(2)54-31(13-25(36)44)56-21-8-20-9-23(42)34-22(38(20,4)28(46)10-21)11-29(47)39(5)27(6-7-41(34,39)51)40(50)15-30(48)52-16-40/h17-29,31-37,42-47,49-51H,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:35]([OH:49])[CH:24]([OH:43])[CH2:12][CH:32]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:33]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:31]([O:56][CH:21]4[CH2:8][CH:20]5[CH2:9][CH:23]([OH:42])[CH:34]6[CH:22]([CH2:11][CH:29]([OH:47])[C:39]7([CH3:5])[CH:27]([C:40]8([OH:50])[CH2:15][C:30](=[O:48])[O:52][CH2:16]8)[CH2:6][CH2:7][C:41]67[OH:51])[C:38]5([CH3:4])[CH:28]([OH:46])[CH2:10]4)[CH2:13][CH:25]3[OH:44])[CH2:14][CH:26]2[OH:45])[O:53]1 |
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