| Properties | Image |
|---|
| MNX_ID | MNXM105025 |
 |
| reference | chebi:69715 |
| formula | C36H44O12 |
| global charge | 0 |
| mol weight | 668.736 |
| InChIKey | SRKVJOIQCZXSCT-ZAYCIZEMSA-N |
| InChI | InChI=1S/C36H44O12/c1-9-26(41)45-28-19(2)17-36(48-22(5)39)27(28)30(44-20(3)37)35-18-43-34(8,32(36)46-31(42)23-13-11-10-12-14-23)29(35)24(15-16-25(35)40)33(6,7)47-21(4)38/h10-16,19,24,27-30,32H,9,17-18H2,1-8H3/t19-,24-,27+,28-,29-,30+,32?,34?,35+,36+/m0/s1 |
| SMILES | CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)(C(OC(=O)C5=CC=CC=C5)[C@@]2(OC(C)=O)C[C@@H]1C)[C@@H]3[C@@H](C(C)(C)OC(C)=O)C=CC4=O |
MNX internals
| InChI (mnx) | InChI=1/C36H44O12/c1-9-26(41)45-28-19(2)17-36(48-22(5)39)27(28)30(44-20(3)37)35-18-43-34(8,32(36)46-31(42)23-13-11-10-12-14-23)29(35)24(15-16-25(35)40)33(6,7)47-21(4)38/h10-16,19,24,27-30,32H,9,17-18H2,1-8H3/t19-,24-,27+,28-,29-,30+,32?,34?,35+,36+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:9][C:26](=[O:41])[O:45][C@H:28]1[C@@H:19]([CH3:2])[CH2:17][C@@:36]2([O:48][C:22]([CH3:5])=[O:39])[C@H:27]1[C@@H:30]([O:44][C:20]([CH3:3])=[O:37])[C@@:35]13[CH2:18][O:43][C:34]([CH3:8])([C@@H:29]1[C@@H:24]([C:33]([CH3:6])([CH3:7])[O:47][C:21]([CH3:4])=[O:38])[CH:15]=[CH:16][C:25]3=[O:40])[CH:32]2[O:46][C:31]([C:23]1=[CH:13][CH:11]=[CH:10][CH:12]=[CH:14]1)=[O:42] |
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