| Properties | Image |
|---|
| MNX_ID | MNXM33298 |
 |
| reference | chebi:748 |
| formula | C28H36O10 |
| global charge | 0 |
| mol weight | 532.586 |
| InChIKey | PUNWVWPDKCBXSA-RMOQNIQOSA-N |
| InChI | InChI=1S/C28H36O10/c1-12(29)37-18-9-17(31)27-11-36-23(34)24(18,2)15(27)8-16(30)26(4)21(27)20(32)22(33)25(3)14(13-5-6-35-10-13)7-19-28(25,26)38-19/h5-6,10,14-19,21-23,30-31,33-34H,7-9,11H2,1-4H3/t14-,15-,16+,17-,18+,19+,21-,22-,23?,24+,25+,26+,27+,28+/m0/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@H](O)[C@@]23COC(O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](O)[C@@]2(C)[C@H](C3=COC=C3)C[C@H]3O[C@]321 |
MNX internals
| InChI (mnx) | InChI=1/C28H36O10/c1-12(29)37-18-9-17(31)27-11-36-23(34)24(18,2)15(27)8-16(30)26(4)21(27)20(32)22(33)25(3)14(13-5-6-35-10-13)7-19-28(25,26)38-19/h5-6,10,14-19,21-23,30-31,33-34H,7-9,11H2,1-4H3/t14-,15-,16+,17-,18+,19+,21-,22-,23?,24+,25+,26+,27+,28+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:12](=[O:29])[O:37][C@@H:18]1[CH2:9][C@H:17]([OH:31])[C@@:27]23[CH2:11][O:36][CH:23]([OH:34])[C@:24]1([CH3:2])[C@@H:15]2[CH2:8][C@@H:16]([OH:30])[C@:26]1([CH3:4])[C@@H:21]3[C:20](=[O:32])[C@H:22]([OH:33])[C@@:25]2([CH3:3])[C@H:14]([C:13]3=[CH:10][O:35][CH:6]=[CH:5]3)[CH2:7][C@@H:19]3[C@@:28]21[O:38]3 |
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