| Properties | Image |
|---|
| MNX_ID | MNXM105015 |
 |
| reference | chebi:69912 |
| formula | C37H48O12 |
| global charge | 0 |
| mol weight | 684.779 |
| InChIKey | ZDNXSCUQPPKQFI-HNNPOHMXSA-N |
| InChI | InChI=1S/C37H48O12/c1-19(2)34(42)48-28-21(4)18-37(44)27(28)29(45-23(6)38)22(5)30(46-24(7)39)31(49-35(43)26-14-12-11-13-15-26)33(47-25(8)40)36(9,10)17-16-20(3)32(37)41/h11-17,19-21,27-31,33,44H,5,18H2,1-4,6-10H3/b17-16+/t20-,21+,27-,28+,29+,30+,31-,33-,37-/m1/s1 |
| SMILES | C=C1[C@H](OC(C)=O)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H](OC(C)=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(O)C[C@H](C)[C@H](OC(=O)C(C)C)[C@@H]2[C@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C37H48O12/c1-19(2)34(42)48-28-21(4)18-37(44)27(28)29(45-23(6)38)22(5)30(46-24(7)39)31(49-35(43)26-14-12-11-13-15-26)33(47-25(8)40)36(9,10)17-16-20(3)32(37)41/h11-17,19-21,27-31,33,44H,5,18H2,1-4,6-10H3/b17-16+/t20-,21+,27-,28+,29+,30+,31-,33-,37-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:19]([CH3:2])[C:34](=[O:42])[O:48][C@H:28]1[C@@H:21]([CH3:4])[CH2:18][C@@:37]2([OH:44])[C@H:27]1[C@@H:29]([O:45][C:23]([CH3:6])=[O:38])[C:22](=[CH2:5])[C@H:30]([O:46][C:24]([CH3:7])=[O:39])[C@@H:31]([O:49][C:35]([C:26]1=[CH:14][CH:12]=[CH:11][CH:13]=[CH:15]1)=[O:43])[C@@H:33]([O:47][C:25]([CH3:8])=[O:40])[C:36]([CH3:9])([CH3:10])/[CH:17]=[CH:16]/[C@@H:20]([CH3:3])[C:32]2=[O:41] |
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