| Properties | Image |
|---|
| MNX_ID | MNXM148953 |
 |
| reference | chebi:208633 |
| formula | C52H72O12 |
| global charge | 0 |
| mol weight | 889.136 |
| InChIKey | BTGYPRJWGLDQRP-CCCUFOMRSA-N |
| InChI | InChI=1S/C52H72O12/c1-29(19-15-21-31(3)23-25-37-33(5)41(53)39(27-51(37,9)10)63-49-47(59)45(57)43(55)35(7)61-49)17-13-14-18-30(2)20-16-22-32(4)24-26-38-34(6)42(54)40(28-52(38,11)12)64-50-48(60)46(58)44(56)36(8)62-50/h13-26,35-36,39-40,43-50,55-60H,27-28H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+/t35-,36-,39+,40+,43-,44-,45+,46+,47+,48+,49-,50-/m1/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)CC2(C)C)C(C)(C)C[C@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C52H72O12/c1-29(19-15-21-31(3)23-25-37-33(5)41(53)39(27-51(37,9)10)63-49-47(59)45(57)43(55)35(7)61-49)17-13-14-18-30(2)20-16-22-32(4)24-26-38-34(6)42(54)40(28-52(38,11)12)64-50-48(60)46(58)44(56)36(8)62-50/h13-26,35-36,39-40,43-50,55-60H,27-28H2,1-12H3/b14-13+,19-15+,20-16+,25-23+,26-24+,29-17+,30-18+,31-21+,32-22+/t35-,36-,39+,40+,43-,44-,45+,46+,47+,48+,49-,50-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:29](=[CH:17]\[CH:13]=[CH:14]\[CH:18]=[C:30]([CH3:2])\[CH:20]=[CH:16]\[CH:22]=[C:32]([CH3:4])\[CH:24]=[CH:26]\[C:38]1=[C:34]([CH3:6])[C:42](=[O:54])[C@@H:40]([O:64][C@@H:50]2[C@@H:48]([OH:60])[C@@H:46]([OH:58])[C@H:44]([OH:56])[C@@H:36]([CH3:8])[O:62]2)[CH2:28][C:52]1([CH3:11])[CH3:12])/[CH:19]=[CH:15]/[CH:21]=[C:31]([CH3:3])/[CH:23]=[CH:25]/[C:37]1=[C:33]([CH3:5])[C:41](=[O:53])[C@@H:39]([O:63][C@@H:49]2[C@@H:47]([OH:59])[C@@H:45]([OH:57])[C@H:43]([OH:55])[C@@H:35]([CH3:7])[O:61]2)[CH2:27][C:51]1([CH3:9])[CH3:10] |
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