| Properties | Image |
|---|
| MNX_ID | MNXM1172519 |
 |
| reference | envipathM:...88822eb0b692 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | UJKJVBLLIGBYDH-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-19-32(47)24(42)13-30(54-19)58-34-21(3)56-31(15-26(34)44)59-33-20(2)55-29(14-25(33)43)57-23-6-7-35(4)37(48,16-23)8-10-40(51)39(50)11-9-38(49,22-12-28(46)53-18-22)36(39,5)27(45)17-41(35,40)52/h12,19-21,23-26,29-34,42-44,47-52H,6-11,13-18H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(O)(CCC6(O)C5(O)CC(=O)C5(C)C(O)(C7=CC(=O)OC7)CCC65O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-19-32(47)24(42)13-30(54-19)58-34-21(3)56-31(15-26(34)44)59-33-20(2)55-29(14-25(33)43)57-23-6-7-35(4)37(48,16-23)8-10-40(51)39(50)11-9-38(49,22-12-28(46)53-18-22)36(39,5)27(45)17-41(35,40)52/h12,19-21,23-26,29-34,42-44,47-52H,6-11,13-18H2,1-5H3/t19?,20?,21?,23?,24?,25?,26?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[CH:32]([OH:47])[CH:24]([OH:42])[CH2:13][CH:30]([O:58][CH:34]2[CH:21]([CH3:3])[O:56][CH:31]([O:59][CH:33]3[CH:20]([CH3:2])[O:55][CH:29]([O:57][CH:23]4[CH2:6][CH2:7][C:35]5([CH3:4])[C:37]([OH:48])([CH2:8][CH2:10][C:40]6([OH:51])[C:39]7([OH:50])[CH2:11][CH2:9][C:38]([C:22]8=[CH:12][C:28](=[O:46])[O:53][CH2:18]8)([OH:49])[C:36]7([CH3:5])[C:27](=[O:45])[CH2:17][C:41]56[OH:52])[CH2:16]4)[CH2:14][CH:25]3[OH:43])[CH2:15][CH:26]2[OH:44])[O:54]1 |
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