Chemical compound
Brassinolide
(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
C28H48O6
SMILES
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
Properties
- Formula
- C28H48O6
- Molecular weight
- 480.7 g/mol
- PubChem CID
- 115196
- InChIKey
- IXVMHGVQKLDRKH-KNBKMWSGSA-N
- XLogP
- 4.8
- TPSA
- 107 Ų
- H-bond donors
- 4
- H-bond acceptors
- 6