| Properties | Image |
|---|
| MNX_ID | MNXM11742 |
 |
| reference | chebi:77155 |
| formula | C48H82O18 |
| global charge | 0 |
| mol weight | 947.166 |
| InChIKey | ZRBFCAALKKNCJG-SJYBZOGZSA-N |
| InChI | InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)37(57)34(54)27(64-43)21-61-41-38(58)35(55)32(52)25(19-49)62-41)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)36(56)33(53)26(20-50)63-42/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,45-,46+,47+,48-/m0/s1 |
| SMILES | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C48H82O18/c1-22(2)10-9-14-48(8,66-43-40(60)37(57)34(54)27(64-43)21-61-41-38(58)35(55)32(52)25(19-49)62-41)23-11-16-47(7)31(23)24(51)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)65-42-39(59)36(56)33(53)26(20-50)63-42/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,45-,46+,47+,48-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:22]([CH3:2])=[CH:10][CH2:9][CH2:14][C@@:48]([CH3:8])([C@H:23]1[CH2:11][CH2:16][C@:47]2([CH3:7])[C@@H:31]1[C@H:24]([OH:51])[CH2:18][C@@H:29]1[C@@:45]3([CH3:5])[CH2:15][CH2:13][C@H:30]([O:65][C@H:42]4[C@H:39]([OH:59])[C@@H:36]([OH:56])[C@H:33]([OH:53])[C@@H:26]([CH2:20][OH:50])[O:63]4)[C:44]([CH3:3])([CH3:4])[C@@H:28]3[CH2:12][CH2:17][C@:46]12[CH3:6])[O:66][C@H:43]1[C@H:40]([OH:60])[C@@H:37]([OH:57])[C@H:34]([OH:54])[C@@H:27]([CH2:21][O:61][C@H:41]2[C@H:38]([OH:58])[C@@H:35]([OH:55])[C@H:32]([OH:52])[C@@H:25]([CH2:19][OH:49])[O:62]2)[O:64]1 |
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