| Properties | Image |
|---|
| MNX_ID | MNXM101727 |
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| reference | chebi:65775 |
| formula | C38H40O10 |
| global charge | 0 |
| mol weight | 656.728 |
| InChIKey | ZKSJYLLIQBNONM-MYQHGJAJSA-N |
| InChI | InChI=1S/C38H40O10/c1-23-20-29(45-24(2)39)31(40)37(22-44-33(41)25-14-8-5-9-15-25)30(46-34(42)26-16-10-6-11-17-26)21-28-32(38(23,37)48-36(28,3)4)47-35(43)27-18-12-7-13-19-27/h5-19,23,28-32,40H,20-22H2,1-4H3/t23-,28-,29+,30+,31+,32-,37-,38-/m1/s1 |
| SMILES | CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)C4=CC=CC=C4)[C@]2(COC(=O)C2=CC=CC=C2)[C@H]1O)[C@H]3OC(=O)C1=CC=CC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C38H40O10/c1-23-20-29(45-24(2)39)31(40)37(22-44-33(41)25-14-8-5-9-15-25)30(46-34(42)26-16-10-6-11-17-26)21-28-32(38(23,37)48-36(28,3)4)47-35(43)27-18-12-7-13-19-27/h5-19,23,28-32,40H,20-22H2,1-4H3/t23-,28-,29+,30+,31+,32-,37-,38-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:23]1[CH2:20][C@H:29]([O:45][C:24]([CH3:2])=[O:39])[C@H:31]([OH:40])[C@@:37]2([CH2:22][O:44][C:33]([C:25]3=[CH:14][CH:8]=[CH:5][CH:9]=[CH:15]3)=[O:41])[C@@H:30]([O:46][C:34]([C:26]3=[CH:16][CH:10]=[CH:6][CH:11]=[CH:17]3)=[O:42])[CH2:21][C@@H:28]3[C@@H:32]([O:47][C:35]([C:27]4=[CH:18][CH:12]=[CH:7][CH:13]=[CH:19]4)=[O:43])[C@:38]12[O:48][C:36]3([CH3:3])[CH3:4] |
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