| Properties | Image |
|---|
| MNX_ID | MNXM1171664 |
 |
| reference | envipathM:...9557cecde8b3 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | XPEWMDMCBQUPQE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-36(50)25(44)12-32(53-17)57-37-18(2)54-33(13-26(37)45)58-38-27(46)14-34(56-28(38)15-42)55-21-8-20-9-24(43)35-23(39(20,3)29(47)10-21)11-30(48)40(4)22(5-6-41(35,40)51)19-7-31(49)52-16-19/h7,15,17-18,20-28,30,32-38,43-46,48,50-51H,5-6,8-14,16H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C6=CC(=O)OC6)CCC45O)OC3C=O)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-36(50)25(44)12-32(53-17)57-37-18(2)54-33(13-26(37)45)58-38-27(46)14-34(56-28(38)15-42)55-21-8-20-9-24(43)35-23(39(20,3)29(47)10-21)11-30(48)40(4)22(5-6-41(35,40)51)19-7-31(49)52-16-19/h7,15,17-18,20-28,30,32-38,43-46,48,50-51H,5-6,8-14,16H2,1-4H3/t17?,18?,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:36]([OH:50])[CH:25]([OH:44])[CH2:12][CH:32]([O:57][CH:37]2[CH:18]([CH3:2])[O:54][CH:33]([O:58][CH:38]3[CH:27]([OH:46])[CH2:14][CH:34]([O:55][CH:21]4[CH2:8][CH:20]5[CH2:9][CH:24]([OH:43])[CH:35]6[CH:23]([CH2:11][CH:30]([OH:48])[C:40]7([CH3:4])[CH:22]([C:19]8=[CH:7][C:31](=[O:49])[O:52][CH2:16]8)[CH2:5][CH2:6][C:41]67[OH:51])[C:39]5([CH3:3])[C:29](=[O:47])[CH2:10]4)[O:56][CH:28]3[CH:15]=[O:42])[CH2:13][CH:26]2[OH:45])[O:53]1 |
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