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Brassinolide

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Brassinolide / CAS : 72962-43-7

Appearance white to off-white crystal UN 0.0
HS 29322090 DG Class 0.0
Synonyms 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)-; Brassin Lactone; Brassinolide[(2Alpha,3Alpha,5Alpha,22R,23R,24S)-2,3,22,23-Tetrahydroxy-Beta-Homo-7-Oxaergostan-6-One]; (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-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-Trimethylhexyl]Hexadecahydro-5,6-Dihydroxy-7A,9A-Dimethyl-3H-Benzo[C]I
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Properties

Summary

Formula
C28H48O6
Molecular Mass
480.67700
Exact Mass
480.34500
PSA
107.22000
Logp
3.39000
IUPAC
(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
SMILES
CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Veterinary API
Plant and Other Extracts > Plant Extracts
Agrochemicals > Pesticide Intermediates

Chemical and Physical Properties

Melting Point
200-204ºC
Density
1.141 g/cm3
Boiling Point
633.7ºC
Appearance
white to off-white crystal
Acidity and Basicity
acidness

Export information

HS Code
29322090
Export Rebate
13%
UN No.
0.0
DG-Class
0.0

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