| Properties | Image |
|---|
| MNX_ID | MNXM113690 |
 |
| reference | chebi:69180 |
| formula | C42H48O14 |
| global charge | 0 |
| mol weight | 776.832 |
| InChIKey | USLNOOFCHMVHFV-CXQXIBKHSA-N |
| InChI | InChI=1S/C42H48O14/c1-21(2)41(55-37(48)29-18-14-11-15-19-29)33(51-25(6)44)23(4)40(49)30-20-22(3)32(50-24(5)43)42(30)38(54-36(47)28-16-12-10-13-17-28)39(9,56-42)34(52-26(7)45)31(40)35(41)53-27(8)46/h10-19,22-23,30-35,38,49H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41-,42+/m0/s1 |
| SMILES | C=C(C)[C@@]1(OC(=O)C2=CC=CC=C2)[C@H](OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@@]3(C)O[C@@]4([C@@H]3OC(=O)C3=CC=CC=C3)[C@@H](OC(C)=O)[C@@H](C)C[C@H]4[C@@]2(O)[C@H](C)[C@@H]1OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C42H48O14/c1-21(2)41(55-37(48)29-18-14-11-15-19-29)33(51-25(6)44)23(4)40(49)30-20-22(3)32(50-24(5)43)42(30)38(54-36(47)28-16-12-10-13-17-28)39(9,56-42)34(52-26(7)45)31(40)35(41)53-27(8)46/h10-19,22-23,30-35,38,49H,1,20H2,2-9H3/t22-,23+,30-,31-,32-,33-,34-,35+,38+,39+,40-,41-,42+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:21]([CH3:2])[C@:41]1([O:55][C:37]([C:29]2=[CH:18][CH:14]=[CH:11][CH:15]=[CH:19]2)=[O:48])[C@@H:33]([O:51][C:25]([CH3:6])=[O:44])[C@@H:23]([CH3:4])[C@:40]2([OH:49])[C@@H:30]3[CH2:20][C@H:22]([CH3:3])[C@H:32]([O:50][C:24]([CH3:5])=[O:43])[C@@:42]34[C@H:38]([O:54][C:36]([C:28]3=[CH:16][CH:12]=[CH:10][CH:13]=[CH:17]3)=[O:47])[C@@:39]([CH3:9])([C@@H:34]([O:52][C:26]([CH3:7])=[O:45])[C@H:31]2[C@H:35]1[O:53][C:27]([CH3:8])=[O:46])[O:56]4 |
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