| Properties | Image |
|---|
| MNX_ID | MNXM1185076 |
 |
| reference | envipathM:...096eca1f25b1 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | LNRFJOYVJWZFOG-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-35(49)25(42)12-33(53-17)57-37-19(3)55-34(14-27(37)44)58-36-18(2)54-32(13-26(36)43)56-22-8-20-6-7-23-24(38(20,4)28(45)10-22)11-29(46)39(5)40(23,50)15-30(47)41(39,51)21-9-31(48)52-16-21/h9,17-20,22-24,26-28,30,32-37,43-45,47,49-51H,6-8,10-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C5CC(=O)C5(C)C6(O)CC(O)C5(O)C5=CC(=O)OC5)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-35(49)25(42)12-33(53-17)57-37-19(3)55-34(14-27(37)44)58-36-18(2)54-32(13-26(36)43)56-22-8-20-6-7-23-24(38(20,4)28(45)10-22)11-29(46)39(5)40(23,50)15-30(47)41(39,51)21-9-31(48)52-16-21/h9,17-20,22-24,26-28,30,32-37,43-45,47,49-51H,6-8,10-16H2,1-5H3/t17?,18?,19?,20?,22?,23?,24?,26?,27?,28?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:35]([OH:49])[C:25](=[O:42])[CH2:12][CH:33]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:34]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:32]([O:56][CH:22]4[CH2:8][CH:20]5[CH2:6][CH2:7][CH:23]6[CH:24]([CH2:11][C:29](=[O:46])[C:39]7([CH3:5])[C:40]6([OH:50])[CH2:15][CH:30]([OH:47])[C:41]7([C:21]6=[CH:9][C:31](=[O:48])[O:52][CH2:16]6)[OH:51])[C:38]5([CH3:4])[CH:28]([OH:45])[CH2:10]4)[CH2:13][CH:26]3[OH:43])[CH2:14][CH:27]2[OH:44])[O:53]1 |
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