| Properties | Image |
|---|
| MNX_ID | MNXM108168 |
 |
| reference | chebi:69151 |
| formula | C40H64O12 |
| global charge | 0 |
| mol weight | 736.94 |
| InChIKey | YULYSYYKHQZNHG-IYARCOAASA-N |
| InChI | InChI=1S/C40H64O12/c1-22(11-14-27(44)19-24(3)29(49-25(4)42)20-28-23(2)13-16-32(45)38(28,6)7)12-15-31-39(8,9)33(17-18-40(31,10)52-26(5)43)51-37-36(48)35(47)34(46)30(21-41)50-37/h11,13,19,27-31,33-37,41,44,46-48H,12,14-18,20-21H2,1-10H3/b22-11+,24-19+/t27-,28-,29+,30-,31+,33+,34+,35+,36-,37+,40+/m1/s1 |
| SMILES | CC(=O)O[C@@H](C[C@@H]1C(C)=CCC(=O)C1(C)C)/C(C)=C/[C@H](O)C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C40H64O12/c1-22(11-14-27(44)19-24(3)29(49-25(4)42)20-28-23(2)13-16-32(45)38(28,6)7)12-15-31-39(8,9)33(17-18-40(31,10)52-26(5)43)51-37-36(48)35(47)34(46)30(21-41)50-37/h11,13,19,27-31,33-37,41,44,46-48H,12,14-18,20-21H2,1-10H3/b22-11+,24-19+/t27-,28-,29+,30-,31+,33+,34+,35+,36-,37+,40+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:22](=[CH:11]\[CH2:14][C@H:27](/[CH:19]=[C:24](\[CH3:3])[C@H:29]([CH2:20][C@@H:28]1[C:23]([CH3:2])=[CH:13][CH2:16][C:32](=[O:45])[C:38]1([CH3:6])[CH3:7])[O:49][C:25]([CH3:4])=[O:42])[OH:44])[CH2:12][CH2:15][C@H:31]1[C:39]([CH3:8])([CH3:9])[C@@H:33]([O:51][C@H:37]2[C@H:36]([OH:48])[C@@H:35]([OH:47])[C@@H:34]([OH:46])[C@@H:30]([CH2:21][OH:41])[O:50]2)[CH2:17][CH2:18][C@:40]1([CH3:10])[O:52][C:26]([CH3:5])=[O:43] |
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