| Properties | Image |
|---|
| MNX_ID | MNXM107582 |
 |
| reference | chebi:67565 |
| formula | C28H36O5 |
| global charge | 0 |
| mol weight | 452.591 |
| InChIKey | CSYZCEMSEOUURJ-NQRURKCISA-N |
| InChI | InChI=1S/C28H36O5/c1-14-15(2)25(30)32-23(14)24-16(3)20-7-8-22-19-6-5-17-13-18(29)9-11-27(17,4)21(19)10-12-28(20,22)26(31)33-24/h9,11,13-16,19-24H,5-8,10,12H2,1-4H3/t14-,15-,16+,19-,20-,21+,22+,23-,24+,27+,28+/m1/s1 |
| SMILES | C[C@@H]1[C@@H]([C@@H]2OC(=O)[C@H](C)[C@H]2C)OC(=O)[C@]23CC[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@@H]2CC[C@H]13 |
MNX internals
| InChI (mnx) | InChI=1/C28H36O5/c1-14-15(2)25(30)32-23(14)24-16(3)20-7-8-22-19-6-5-17-13-18(29)9-11-27(17,4)21(19)10-12-28(20,22)26(31)33-24/h9,11,13-16,19-24H,5-8,10,12H2,1-4H3/t14-,15-,16+,19-,20-,21+,22+,23-,24+,27+,28+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:14]1[C@@H:15]([CH3:2])[C:25](=[O:30])[O:32][C@H:23]1[C@@H:24]1[C@@H:16]([CH3:3])[C@H:20]2[CH2:7][CH2:8][C@H:22]3[C@@H:19]4[CH2:6][CH2:5][C:17]5=[CH:13][C:18](=[O:29])[CH:9]=[CH:11][C@:27]5([CH3:4])[C@H:21]4[CH2:10][CH2:12][C@:28]23[C:26](=[O:31])[O:33]1 |
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