| Properties | Image |
|---|
| MNX_ID | MNXM1181449 |
 |
| reference | envipathM:...68467c965a35 |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | ZKQISWGEFPEVNU-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-36(57-32-14-26(46)37(19(2)54-32)58-33-12-24(44)35(49)27(16-42)56-33)25(45)13-31(53-18)55-21-5-7-38(3)20(9-21)10-23(43)34-22(38)11-29(47)39(4)28(6-8-41(34,39)51)40(50)15-30(48)52-17-40/h16,18-25,27-29,31-37,43-45,47,49-51H,5-15,17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)CC(O)C3C4CC(O)C4(C)C(C5(O)COC(=O)C5)CCC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(C=O)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-36(57-32-14-26(46)37(19(2)54-32)58-33-12-24(44)35(49)27(16-42)56-33)25(45)13-31(53-18)55-21-5-7-38(3)20(9-21)10-23(43)34-22(38)11-29(47)39(4)28(6-8-41(34,39)51)40(50)15-30(48)52-17-40/h16,18-25,27-29,31-37,43-45,47,49-51H,5-15,17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([O:57][CH:32]2[CH2:14][C:26](=[O:46])[CH:37]([O:58][CH:33]3[CH2:12][CH:24]([OH:44])[CH:35]([OH:49])[CH:27]([CH:16]=[O:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:25]([OH:45])[CH2:13][CH:31]([O:55][CH:21]2[CH2:5][CH2:7][C:38]3([CH3:3])[CH:20]([CH2:9]2)[CH2:10][CH:23]([OH:43])[CH:34]2[CH:22]3[CH2:11][CH:29]([OH:47])[C:39]3([CH3:4])[CH:28]([C:40]4([OH:50])[CH2:15][C:30](=[O:48])[O:52][CH2:17]4)[CH2:6][CH2:8][C:41]23[OH:51])[O:53]1 |
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