| Properties | Image |
|---|
| MNX_ID | MNXM6504 |
 |
| reference | chebi:80193 |
| formula | C46H66O6 |
| global charge | 0 |
| mol weight | 715.028 |
| InChIKey | LQRQZOJVMFJJLX-LJSSMQLHSA-N |
| InChI | InChI=1S/C46H66O6/c1-32(18-12-13-19-33(2)21-15-24-35(4)27-29-39-37(6)26-17-31-45(39,8)9)20-14-22-34(3)23-16-25-36(5)28-30-40(46(10,11)50)52-44-43(49)42(48)41(47)38(7)51-44/h12-16,18-25,27-30,38,40-44,47-50H,17,26,31H2,1-11H3/b13-12+,20-14+,21-15+,23-16+,29-27+,30-28+,32-18+,33-19+,34-22+,35-24+,36-25+/t38-,40-,41+,42+,43-,44-/m0/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](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)O)C(C)(C)CCC1 |
MNX internals
| InChI (mnx) | InChI=1/C46H66O6/c1-32(18-12-13-19-33(2)21-15-24-35(4)27-29-39-37(6)26-17-31-45(39,8)9)20-14-22-34(3)23-16-25-36(5)28-30-40(46(10,11)50)52-44-43(49)42(48)41(47)38(7)51-44/h12-16,18-25,27-30,38,40-44,47-50H,17,26,31H2,1-11H3/b13-12+,20-14+,21-15+,23-16+,29-27+,30-28+,32-18+,33-19+,34-22+,35-24+,36-25+/t38-,40-,41+,42+,43-,44-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:32](=[CH:18]\[CH:12]=[CH:13]\[CH:19]=[C:33]([CH3:2])\[CH:21]=[CH:15]\[CH:24]=[C:35]([CH3:4])\[CH:27]=[CH:29]\[C:39]1=[C:37]([CH3:6])[CH2:26][CH2:17][CH2:31][C:45]1([CH3:8])[CH3:9])/[CH:20]=[CH:14]/[CH:22]=[C:34]([CH3:3])/[CH:23]=[CH:16]/[CH:25]=[C:36]([CH3:5])/[CH:28]=[CH:30]/[C@@H:40]([C:46]([CH3:10])([CH3:11])[OH:50])[O:52][C@H:44]1[C@@H:43]([OH:49])[C@H:42]([OH:48])[C@H:41]([OH:47])[C@H:38]([CH3:7])[O:51]1 |
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