| Properties | Image |
|---|
| MNX_ID | MNXM105029 |
 |
| reference | chebi:69719 |
| formula | C40H44O11 |
| global charge | 0 |
| mol weight | 700.781 |
| InChIKey | FEESWVAHLOUZGM-SQAORLKVSA-N |
| InChI | InChI=1S/C40H44O11/c1-22(2)29-18-19-30(49-35(44)27-14-10-8-11-15-27)39-21-46-38(7,33(29)39)37(50-36(45)28-16-12-9-13-17-28)40(51-26(6)43)20-23(3)32(47-24(4)41)31(40)34(39)48-25(5)42/h8-19,23,29-34,37H,1,20-21H2,2-7H3/t23-,29+,30+,31+,32-,33-,34+,37?,38?,39+,40+/m0/s1 |
| SMILES | C=C(C)[C@H]1C=C[C@@H](OC(=O)C2=CC=CC=C2)[C@@]23CO[C@@](C)(C(OC(=O)C4=CC=CC=C4)[C@@]4(OC(C)=O)C[C@H](C)[C@H](OC(C)=O)[C@@H]4[C@H]2OC(C)=O)[C@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C40H44O11/c1-22(2)29-18-19-30(49-35(44)27-14-10-8-11-15-27)39-21-46-38(7,33(29)39)37(50-36(45)28-16-12-9-13-17-28)40(51-26(6)43)20-23(3)32(47-24(4)41)31(40)34(39)48-25(5)42/h8-19,23,29-34,37H,1,20-21H2,2-7H3/t23-,29+,30+,31+,32-,33-,34+,37?,38?,39+,40+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:22]([CH3:2])[C@H:29]1[CH:18]=[CH:19][C@@H:30]([O:49][C:35]([C:27]2=[CH:14][CH:10]=[CH:8][CH:11]=[CH:15]2)=[O:44])[C@:39]23[CH2:21][O:46][C:38]([CH3:7])([C@H:33]12)[CH:37]([O:50][C:36]([C:28]1=[CH:16][CH:12]=[CH:9][CH:13]=[CH:17]1)=[O:45])[C@@:40]1([O:51][C:26]([CH3:6])=[O:43])[CH2:20][C@H:23]([CH3:3])[C@H:32]([O:47][C:24]([CH3:4])=[O:41])[C@@H:31]1[C@H:34]3[O:48][C:25]([CH3:5])=[O:42] |
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