| Properties | Image |
|---|
| MNX_ID | MNXM113711 |
 |
| reference | chebi:67782 |
| formula | C33H42O12 |
| global charge | 0 |
| mol weight | 630.687 |
| InChIKey | LZUPONYGHMLQEQ-KPHPJPRYSA-N |
| InChI | InChI=1S/C33H42O12/c1-15(2)32(44-28(38)21-12-10-9-11-13-21)25(41-18(5)34)17(4)31(40)22-14-16(3)24(37)33(22)29(39)30(8,45-33)26(42-19(6)35)23(31)27(32)43-20(7)36/h9-13,16-17,22-27,29,37,39-40H,1,14H2,2-8H3/t16-,17+,22-,23-,24-,25-,26-,27+,29+,30-,31-,32-,33+/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]3O)[C@@H](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/C33H42O12/c1-15(2)32(44-28(38)21-12-10-9-11-13-21)25(41-18(5)34)17(4)31(40)22-14-16(3)24(37)33(22)29(39)30(8,45-33)26(42-19(6)35)23(31)27(32)43-20(7)36/h9-13,16-17,22-27,29,37,39-40H,1,14H2,2-8H3/t16-,17+,22-,23-,24-,25-,26-,27+,29+,30-,31-,32-,33+/m0/s1 |
 |
| SMILES (mnx) | [CH2:1]=[C:15]([CH3:2])[C@:32]1([O:44][C:28]([C:21]2=[CH:12][CH:10]=[CH:9][CH:11]=[CH:13]2)=[O:38])[C@@H:25]([O:41][C:18]([CH3:5])=[O:34])[C@@H:17]([CH3:4])[C@:31]2([OH:40])[C@@H:22]3[CH2:14][C@H:16]([CH3:3])[C@H:24]([OH:37])[C@@:33]34[C@H:29]([OH:39])[C@:30]([CH3:8])([C@@H:26]([O:42][C:19]([CH3:6])=[O:35])[C@H:23]2[C@H:27]1[O:43][C:20]([CH3:7])=[O:36])[O:45]4 |
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