| Properties | Image |
|---|
| MNX_ID | MNXM1179059 |
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| reference | envipathM:...661b8a78f8d2 |
| formula | C39H61NO11 |
| global charge | 0 |
| mol weight | 719.913 |
| InChIKey | GYUJZZJOTQCAII-KJYLWDDQSA-N |
| InChI | InChI=1S/C39H61NO11/c1-17-6-9-24-18(2)26-28(40(24)15-17)31(44)27-22-8-7-20-14-21(10-12-38(20,4)23(22)11-13-39(26,27)5)49-37-35(33(46)30(43)25(16-41)50-37)51-36-34(47)32(45)29(42)19(3)48-36/h7,17-19,21-32,34-37,41-45,47H,6,8-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,34?,35?,36?,37?,38-,39+/m0/s1 |
| SMILES | CC1CCC2C(C)C3C(C(O)C4C5CC=C6CC(OC7OC(CO)C(O)C(=O)C7OC7OC(C)C(O)C(O)C7O)CC[C@]6(C)C5CC[C@@]43C)N2C1 |
MNX internals
| InChI (mnx) | InChI=1/C39H61NO11/c1-17-6-9-24-18(2)26-28(40(24)15-17)31(44)27-22-8-7-20-14-21(10-12-38(20,4)23(22)11-13-39(26,27)5)49-37-35(33(46)30(43)25(16-41)50-37)51-36-34(47)32(45)29(42)19(3)48-36/h7,17-19,21-32,34-37,41-45,47H,6,8-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,34?,35?,36?,37?,38-,39+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH2:6][CH2:9][CH:24]2[CH:18]([CH3:2])[CH:26]3[CH:28]([CH:31]([OH:44])[CH:27]4[CH:22]5[CH2:8][CH:7]=[C:20]6[CH2:14][CH:21]([O:49][CH:37]7[CH:35]([O:51][CH:36]8[CH:34]([OH:47])[CH:32]([OH:45])[CH:29]([OH:42])[CH:19]([CH3:3])[O:48]8)[C:33](=[O:46])[CH:30]([OH:43])[CH:25]([CH2:16][OH:41])[O:50]7)[CH2:10][CH2:12][C@:38]6([CH3:4])[CH:23]5[CH2:11][CH2:13][C@:39]34[CH3:5])[N:40]2[CH2:15]1 |
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