| Properties | Image |
|---|
| MNX_ID | MNXM1187066 |
 |
| reference | envipathM:...817a8ee95a00 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | GLROTTFCAQYEPE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-19-25(22-11-33(48)51-18-22)5-6-32(47)41(50)10-7-23-12-24(8-9-40(23,4)31(41)13-26(19)43)54-34-15-28(45)38(20(2)52-34)56-35-16-29(46)39(21(3)53-35)57-36-14-27(44)37(49)30(17-42)55-36/h11,19-21,23-25,28-31,34-39,42,45-46,49-50H,5-10,12-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4(O)C(=O)CCC(C5=CC(=O)OC5)C(C)C(=O)CC43)C2)CC(O)C1OC1CC(O)C(OC2CC(=O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-19-25(22-11-33(48)51-18-22)5-6-32(47)41(50)10-7-23-12-24(8-9-40(23,4)31(41)13-26(19)43)54-34-15-28(45)38(20(2)52-34)56-35-16-29(46)39(21(3)53-35)57-36-14-27(44)37(49)30(17-42)55-36/h11,19-21,23-25,28-31,34-39,42,45-46,49-50H,5-10,12-18H2,1-4H3/t19?,20?,21?,23?,24?,25?,28?,29?,30?,31?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:25]([C:22]2=[CH:11][C:33](=[O:48])[O:51][CH2:18]2)[CH2:5][CH2:6][C:32](=[O:47])[C:41]2([OH:50])[CH2:10][CH2:7][CH:23]3[CH2:12][CH:24]([O:54][CH:34]4[CH2:15][CH:28]([OH:45])[CH:38]([O:56][CH:35]5[CH2:16][CH:29]([OH:46])[CH:39]([O:57][CH:36]6[CH2:14][C:27](=[O:44])[CH:37]([OH:49])[CH:30]([CH2:17][OH:42])[O:55]6)[CH:21]([CH3:3])[O:53]5)[CH:20]([CH3:2])[O:52]4)[CH2:8][CH2:9][C:40]3([CH3:4])[CH:31]2[CH2:13][C:26]1=[O:43] |
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