| Properties | Image |
|---|
| MNX_ID | MNXM521830 |
 |
| reference | metacycM:CPD-18640 |
| formula | C39H65NO12 |
| global charge | 0 |
| mol weight | 739.944 |
| InChIKey | KNFKROLCBJOHLX-LGOSNWDOSA-N |
| InChI | InChI=1S/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1 |
| SMILES | C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
MNX internals
| InChI (mnx) | InChI=1/C39H65NO12/c1-18-7-12-39(40-15-18)19(2)28-25(52-39)14-24-22-6-5-20-13-21(8-10-37(20,3)23(22)9-11-38(24,28)4)48-35-33(47)31(45)34(27(17-42)50-35)51-36-32(46)30(44)29(43)26(16-41)49-36/h18-36,40-47H,5-17H2,1-4H3/t18-,19-,20-,21-,22+,23-,24-,25-,26+,27+,28-,29+,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:18]1[CH2:7][CH2:12][C@:39]2([C@@H:19]([CH3:2])[C@H:28]3[C@H:25]([CH2:14][C@H:24]4[C@@H:22]5[CH2:6][CH2:5][C@H:20]6[CH2:13][C@@H:21]([O:48][C@H:35]7[C@H:33]([OH:47])[C@@H:31]([OH:45])[C@@H:34]([O:51][C@H:36]8[C@H:32]([OH:46])[C@@H:30]([OH:44])[C@H:29]([OH:43])[C@@H:26]([CH2:16][OH:41])[O:49]8)[C@@H:27]([CH2:17][OH:42])[O:50]7)[CH2:8][CH2:10][C@:37]6([CH3:3])[C@H:23]5[CH2:9][CH2:11][C@@:38]43[CH3:4])[O:52]2)[NH:40][CH2:15]1 |
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