| Properties | Image |
|---|
| MNX_ID | MNXM1171771 |
 |
| reference | envipathM:...90d67f2a639f |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | NHEKGEDOQJQSGX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-37(57-35-12-25(44)36(50)28(15-42)55-35)26(45)13-33(53-18)58-38-27(46)14-34(56-29(38)16-43)54-21-9-20-4-5-23-24(39(20,2)30(47)10-21)11-31(48)40(3)22(6-7-41(23,40)51)19-8-32(49)52-17-19/h8,15,18,20-29,31,33-38,43-46,48,50-51H,4-7,9-14,16-17H2,1-3H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(=O)C4(C)C(CCC5C4CC(O)C4(C)C(C6=CC(=O)OC6)CCC54O)C3)OC2CO)CC(O)C1OC1CC(O)C(O)C(C=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-37(57-35-12-25(44)36(50)28(15-42)55-35)26(45)13-33(53-18)58-38-27(46)14-34(56-29(38)16-43)54-21-9-20-4-5-23-24(39(20,2)30(47)10-21)11-31(48)40(3)22(6-7-41(23,40)51)19-8-32(49)52-17-19/h8,15,18,20-29,31,33-38,43-46,48,50-51H,4-7,9-14,16-17H2,1-3H3/t18?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([O:57][CH:35]2[CH2:12][CH:25]([OH:44])[CH:36]([OH:50])[CH:28]([CH:15]=[O:42])[O:55]2)[CH:26]([OH:45])[CH2:13][CH:33]([O:58][CH:38]2[CH:27]([OH:46])[CH2:14][CH:34]([O:54][CH:21]3[CH2:9][CH:20]4[CH2:4][CH2:5][CH:23]5[CH:24]([CH2:11][CH:31]([OH:48])[C:40]6([CH3:3])[CH:22]([C:19]7=[CH:8][C:32](=[O:49])[O:52][CH2:17]7)[CH2:6][CH2:7][C:41]56[OH:51])[C:39]4([CH3:2])[C:30](=[O:47])[CH2:10]3)[O:56][CH:29]2[CH2:16][OH:43])[O:53]1 |
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