| Properties | Image |
|---|
| MNX_ID | MNXM62867 |
 |
| reference | chebi:187163 |
| formula | C46H66O8 |
| global charge | 0 |
| mol weight | 747.026 |
| InChIKey | VJHXSZGYVIKVEU-SKFWZKHZSA-N |
| InChI | InChI=1S/C46H66O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-38-36(6)28-37(48)29-45(38,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(46(9,10)52)54-44-43(51)42(50)41(49)39(30-47)53-44/h11-27,37,39-44,47-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t37-,39-,40-,41-,42+,43-,44?/m1/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)O)C(C)(C)C[C@H](O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C46H66O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-38-36(6)28-37(48)29-45(38,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(46(9,10)52)54-44-43(51)42(50)41(49)39(30-47)53-44/h11-27,37,39-44,47-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t37-,39-,40-,41-,42+,43-,44?/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:31](=[CH:16]\[CH:11]=[CH:12]\[CH:17]=[C:32]([CH3:2])\[CH:19]=[CH:14]\[CH:22]=[C:34]([CH3:4])\[CH:24]=[CH:26]\[C:38]1=[C:36]([CH3:6])[CH2:28][C@@H:37]([OH:48])[CH2:29][C:45]1([CH3:7])[CH3:8])/[CH:18]=[CH:13]/[CH:20]=[C:33]([CH3:3])/[CH:21]=[CH:15]/[CH:23]=[C:35]([CH3:5])/[CH:25]=[CH:27]/[C@H:40]([C:46]([CH3:9])([CH3:10])[OH:52])[O:54][CH:44]1[C@H:43]([OH:51])[C@@H:42]([OH:50])[C@H:41]([OH:49])[C@@H:39]([CH2:30][OH:47])[O:53]1 |
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