| Properties | Image |
|---|
| MNX_ID | MNXM1191913 |
 |
| reference | envipathM:...5933e4c23251 |
| formula | C41H64O16 |
| global charge | 0 |
| mol weight | 812.947 |
| InChIKey | MERCNRBTYYMFAS-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O16/c1-19-24(22-11-33(48)51-18-22)5-6-27(43)25-8-10-41(50)16-23(7-9-40(41,4)26(25)12-28(19)44)54-34-14-30(46)38(20(2)52-34)56-35-15-31(47)39(21(3)53-35)57-36-13-29(45)37(49)32(17-42)55-36/h19-26,29-32,34-39,42,45-47,49-50H,5-18H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C4CC(=O)C(C)C(C5COC(=O)C5)CCC(=O)C4CCC3(O)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-19-24(22-11-33(48)51-18-22)5-6-27(43)25-8-10-41(50)16-23(7-9-40(41,4)26(25)12-28(19)44)54-34-14-30(46)38(20(2)52-34)56-35-15-31(47)39(21(3)53-35)57-36-13-29(45)37(49)32(17-42)55-36/h19-26,29-32,34-39,42,45-47,49-50H,5-18H2,1-4H3/t19?,20?,21?,22?,23?,24?,25?,26?,29?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:19]1[CH:24]([CH:22]2[CH2:11][C:33](=[O:48])[O:51][CH2:18]2)[CH2:5][CH2:6][C:27](=[O:43])[CH:25]2[CH2:8][CH2:10][C:41]3([OH:50])[CH2:16][CH:23]([O:54][CH:34]4[CH2:14][CH:30]([OH:46])[CH:38]([O:56][CH:35]5[CH2:15][CH:31]([OH:47])[CH:39]([O:57][CH:36]6[CH2:13][CH:29]([OH:45])[CH:37]([OH:49])[CH:32]([CH2:17][OH:42])[O:55]6)[CH:21]([CH3:3])[O:53]5)[CH:20]([CH3:2])[O:52]4)[CH2:7][CH2:9][C:40]3([CH3:4])[CH:26]2[CH2:12][C:28]1=[O:44] |
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