| Properties | Image |
|---|
| MNX_ID | MNXM107376 |
 |
| reference | chebi:67308 |
| formula | C38H44O9 |
| global charge | 0 |
| mol weight | 644.761 |
| InChIKey | JYFHWXOCTSBEPC-CUNMOGCISA-N |
| InChI | InChI=1S/C38H44O9/c1-21-25(24-14-15-43-19-24)16-26-32(21)38(5)27(17-31(41)42-6)37(4)29(47-30(40)13-12-23-10-8-7-9-11-23)18-28(45-22(2)39)36(3)20-44-33(34(36)37)35(38)46-26/h7-15,19,25-29,33-35H,16-18,20H2,1-6H3/b13-12+/t25-,26-,27-,28-,29+,33-,34+,35-,36-,37+,38-/m1/s1 |
| SMILES | COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](C4=COC=C4)C[C@H]3O[C@@H]2[C@@H]2OC[C@]3(C)[C@H](OC(C)=O)C[C@H](OC(=O)/C=C/C4=CC=CC=C4)[C@@]1(C)[C@@H]23 |
MNX internals
| InChI (mnx) | InChI=1/C38H44O9/c1-21-25(24-14-15-43-19-24)16-26-32(21)38(5)27(17-31(41)42-6)37(4)29(47-30(40)13-12-23-10-8-7-9-11-23)18-28(45-22(2)39)36(3)20-44-33(34(36)37)35(38)46-26/h7-15,19,25-29,33-35H,16-18,20H2,1-6H3/b13-12+/t25-,26-,27-,28-,29+,33-,34+,35-,36-,37+,38-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:21]1=[C:32]2[C@@H:26]([CH2:16][C@H:25]1[C:24]1=[CH:19][O:43][CH:15]=[CH:14]1)[O:46][C@@H:35]1[C@H:33]3[C@H:34]4[C@:36]([CH3:3])([CH2:20][O:44]3)[C@H:28]([O:45][C:22]([CH3:2])=[O:39])[CH2:18][C@H:29]([O:47][C:30](/[CH:13]=[CH:12]/[C:23]3=[CH:10][CH:8]=[CH:7][CH:9]=[CH:11]3)=[O:40])[C@:37]4([CH3:4])[C@@H:27]([CH2:17][C:31](=[O:41])[O:42][CH3:6])[C@:38]21[CH3:5] |
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