| Properties | Image |
|---|
| MNX_ID | MNXM106433 |
 |
| reference | chebi:66663 |
| formula | C42H52O11 |
| global charge | 0 |
| mol weight | 732.867 |
| InChIKey | ZGXXNVOBEIRACL-VOGCUZRYSA-N |
| InChI | InChI=1S/C42H52O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,39-44H,1-10H3/t23-,24-,25-,26-,39+,40+,41+,42+/m1/s1 |
| SMILES | COC1=CC=C([C@@H](O)[C@@H](C)OC2=C(OC)C=C([C@H]3O[C@H](C4=CC=C(O[C@H](C)[C@H](O)C5=CC(OC)=C(OC)C=C5)C(OC)=C4)[C@H](C)[C@H]3C)C=C2)C=C1OC |
MNX internals
| InChI (mnx) | InChI=1/C42H52O11/c1-23-24(2)42(30-14-18-34(38(22-30)50-10)52-26(4)40(44)28-12-16-32(46-6)36(20-28)48-8)53-41(23)29-13-17-33(37(21-29)49-9)51-25(3)39(43)27-11-15-31(45-5)35(19-27)47-7/h11-26,39-44H,1-10H3/t23-,24-,25-,26-,39+,40+,41+,42+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:23]1[C@@H:24]([CH3:2])[C@@H:42]([C:30]2=[CH:22][C:38]([O:50][CH3:10])=[C:34]([O:52][C@H:26]([CH3:4])[C@@H:40]([C:28]3=[CH:20][C:36]([O:48][CH3:8])=[C:32]([O:46][CH3:6])[CH:16]=[CH:12]3)[OH:44])[CH:18]=[CH:14]2)[O:53][C@@H:41]1[C:29]1=[CH:21][C:37]([O:49][CH3:9])=[C:33]([O:51][C@H:25]([CH3:3])[C@@H:39]([C:27]2=[CH:19][C:35]([O:47][CH3:7])=[C:31]([O:45][CH3:5])[CH:15]=[CH:11]2)[OH:43])[CH:17]=[CH:13]1 |
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