| Properties | Image |
|---|
| MNX_ID | MNXM739206 |
 |
| reference | chebi:77149 |
| formula | C47H80O18 |
| global charge | 0 |
| mol weight | 933.139 |
| InChIKey | LLPWNQMSUYAGQI-OOSPGMBYSA-N |
| InChI | InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,44+,45+,46+,47-/m0/s1 |
| SMILES | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C47H80O18/c1-21(2)10-9-13-47(8,65-41-37(59)34(56)32(54)26(18-48)62-41)22-11-15-45(6)30(22)23(50)16-28-44(5)14-12-29(52)43(3,4)39(44)25(17-46(28,45)7)61-42-38(35(57)33(55)27(19-49)63-42)64-40-36(58)31(53)24(51)20-60-40/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41-,42+,44+,45+,46+,47-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:21]([CH3:2])=[CH:10][CH2:9][CH2:13][C@@:47]([CH3:8])([C@H:22]1[CH2:11][CH2:15][C@:45]2([CH3:6])[C@@H:30]1[C@H:23]([OH:50])[CH2:16][C@@H:28]1[C@@:44]3([CH3:5])[CH2:14][CH2:12][C@H:29]([OH:52])[C:43]([CH3:3])([CH3:4])[C@@H:39]3[C@@H:25]([O:61][C@H:42]3[C@H:38]([O:64][C@H:40]4[C@H:36]([OH:58])[C@@H:31]([OH:53])[C@H:24]([OH:51])[CH2:20][O:60]4)[C@@H:35]([OH:57])[C@H:33]([OH:55])[C@@H:27]([CH2:19][OH:49])[O:63]3)[CH2:17][C@:46]12[CH3:7])[O:65][C@H:41]1[C@H:37]([OH:59])[C@@H:34]([OH:56])[C@H:32]([OH:54])[C@@H:26]([CH2:18][OH:48])[O:62]1 |
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