Compound: Brassinolide
SMILES: O=C1OC[C@H]2[C@H]3[C@]([C@@H]([C@@H]([C@@H](O)[C@H](O)[C@H](C(C)C)C)C)CC3)(C)CC[C@@H]2[C@@]4([C@@H]1C[C@H](O)[C@@H](C4)O)C
InChIKey: IXVMHGVQKLDRKH-KNBKMWSGSA-N
Synonyms: Brassinolide, 72962-43-7, Y9IQ1L53OX, 6H-Benz(c)indeno(5,4-e)oxepin-6-one, 1-((1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-, DTXSID0039699, CHEBI:28277, B-Homo-7-oxaergostan-6-one, 2,3,22,23-tetrahydroxy-, (2alpha,3alpha,5alpha,22R,23R,24S)-, NSC-325306, 2alpha,3alpha,22R,23R-tetrahydroxy-6,7-seco-5-campestano-6,7-lactone, RefChem:121314, DTXCID8019699, Brassinolide >90%, MFCD00792745, Brassin lactone, 2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-B-homo-7-oxa-5alpha-cholestan-6-one, C28H48O6, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one, (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one, 3H-benz[c]indeno[5,4-e]oxepin-3-one, 10-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-5,6-dihydroxy-7a,9a-dimethyl-, (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-, UNII-Y9IQ1L53OX, NSC 325306, NSC325306, BLD, a,12aalpha]]-, BRASSINOLIDE [MI], SCHEMBL119753, IXVMHGVQKLDRKH-KNBKMWSGSA-N, HY-N0273, LMST01140001, MSK000975, s3882, AKOS030526175, CCG-269555, CS-1486, EBC-618407, FB74161, (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, NS00122413, C08814, Q4957954, (22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-6,7-seco-5alpha-campestano-6,7-lactone, (22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-7a-homo-7-oxa-5alpha-campestan-6-one, (2alpha,3alpha,5alpha,22R,23R,24S)-2,3,22,23-Tetrahydroxy-B-homo-7-oxaergostan-6-one, [(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-dihydroxy-dimethyl-[?]one, 22R,23R,24R-2alpha,3alpha,22,23-Tetrahydroxy-B-homo-7-oxa-5alpha-ergostan-6-one, 2alpha,3alpha,22,23-tetrahydroxy-24-methyl-B-homo-7-oxa-5alpha-cholestan-6-one, (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one, (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[9.7.0.0^{2,7}.0^{12,16}]octadecan-8-one, (2.ALPHA.,3.ALPHA.,5.ALPHA.,22R,23R,24S)-2,3,22,23-TETRAHYDROXY-B-HOMO-7-OXAERGOSTAN-6-ONE, 6H-BENZ(C)INDENO(5,4-E)OXEPIN-6-ONE, 1-(2,3-DIHYDROXY-1,4,5-TRIMETHYLHEXYL)HEXADECAHYDRO-8,9-DIHYDROXY-10A,12A-DIMETHYL-, (1R-(1.ALPHA.(1S*,2R*,3R*,4S*),3A.BETA.,3B.ALPHA.,6A.BETA.,8.BETA.,9.BETA.,10A.ALPHA.,10B.BETA.,12A.ALPHA.))-, 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-(2,3-dihydroxy-1,4,5-trimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, [1R-[1alpha(1S*,2R*,3R*,4S*),3abeta,3balpha,6abeta,8beta,9beta,10aalpha,10bbet, 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)- (9CI), Brassin lactone; (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-((2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one, EpibrassinolideBrassin lactone; 2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-B-homo-7-oxa-5alpha-cholestan-6-one
Theoretical properties:
molecular_formula: C28H48O6
molecular_weight: 480.7 g/mol
exact_mass: 480.34508925 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 4
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 5
heavy_atom_count: 34
topological_polar_surface_area: 107 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Brassinolide is a brassinosteroid, a 3alpha-hydroxy steroid, a 2alpha-hydroxy steroid, a 22-hydroxy steroid and a 23-hydroxy steroid. It has a role as a plant growth stimulator and a plant hormone.
wikipedia: Brassinolide is a plant hormone.  The first isolated brassinosteroid, it was discovered when it was shown that pollen from rapeseed (Brassica napus) could promote stem elongation and cell division.  The biologically active component was isolated and named brassinolide.