| Properties | Image |
|---|
| MNX_ID | MNXM113665 |
 |
| reference | chebi:66261 |
| formula | C28H32O8 |
| global charge | 0 |
| mol weight | 496.556 |
| InChIKey | VATYWOIGKMMCMM-OXGNLDDNSA-N |
| InChI | InChI=1S/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,31-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+/t19-,20-,23-,24-,25+,26+,27-,28-/m1/s1 |
| SMILES | C/C=C/C=C/C(=O)C1=C(O)[C@@]2(C)[C@H]3C(C(=O)/C=C/C=C/C)=C(O)[C@@]4(C)[C@@H]1[C@]1(C)O[C@@]4(O)[C@@]3(C)O[C@@]12O |
MNX internals
| InChI (mnx) | InChI=1/C28H32O8/c1-7-9-11-13-15(29)17-19-23(3)22(32)18(16(30)14-12-10-8-2)20-24(4,21(17)31)28(34)25(19,5)35-27(23,33)26(20,6)36-28/h7-14,19-20,31-34H,1-6H3/b9-7+,10-8+,13-11+,14-12+/t19-,20-,23-,24-,25+,26+,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:7]=[CH:9]/[CH:11]=[CH:13]/[C:15]([C:17]1=[C:21]([OH:31])[C@@:24]2([CH3:4])[C@H:20]3[C:18]([C:16](/[CH:14]=[CH:12]/[CH:10]=[CH:8]/[CH3:2])=[O:30])=[C:22]([OH:32])[C@@:23]4([CH3:3])[C@@H:19]1[C@@:25]1([CH3:5])[C@:28]2([OH:34])[O:36][C@:26]3([CH3:6])[C@:27]4([OH:33])[O:35]1)=[O:29] |
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