| Properties | Image |
|---|
| MNX_ID | MNXM1179713 |
 |
| reference | envipathM:...ae10e9e2f858 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | MESMLTZPJNHEOU-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-36(57-32-15-27(46)37(18(2)53-32)58-33-13-25(44)35(49)28(16-42)55-33)26(45)14-31(52-17)54-20-5-7-39(3)19(9-20)10-24(43)34-23(39)12-29(47)40(4)22(6-8-41(34,40)51)21-11-30(48)56-38(21)50/h11,17-20,22-25,28-29,31-38,42-44,47,49-51H,5-10,12-16H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)CC(O)C2C3CC(O)C3(C)C(C4=CC(=O)OC4O)CCC23O)CC(=O)C1OC1CC(=O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-36(57-32-15-27(46)37(18(2)53-32)58-33-13-25(44)35(49)28(16-42)55-33)26(45)14-31(52-17)54-20-5-7-39(3)19(9-20)10-24(43)34-23(39)12-29(47)40(4)22(6-8-41(34,40)51)21-11-30(48)56-38(21)50/h11,17-20,22-25,28-29,31-38,42-44,47,49-51H,5-10,12-16H2,1-4H3/t17?,18?,19?,20?,22?,23?,24?,25?,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:36]([O:57][CH:32]2[CH2:15][C:27](=[O:46])[CH:37]([O:58][CH:33]3[CH2:13][CH:25]([OH:44])[CH:35]([OH:49])[CH:28]([CH2:16][OH:42])[O:55]3)[CH:18]([CH3:2])[O:53]2)[C:26](=[O:45])[CH2:14][CH:31]([O:54][CH:20]2[CH2:5][CH2:7][C:39]3([CH3:3])[CH:19]([CH2:9]2)[CH2:10][CH:24]([OH:43])[CH:34]2[CH:23]3[CH2:12][CH:29]([OH:47])[C:40]3([CH3:4])[CH:22]([C:21]4=[CH:11][C:30](=[O:48])[O:56][CH:38]4[OH:50])[CH2:6][CH2:8][C:41]23[OH:51])[O:52]1 |
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