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Brassinolide

View entire compound with spectra: 2 FTIR

Brassinolide
SpectraBase Compound ID DbqkKCthaBa
InChI InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
InChIKey IXVMHGVQKLDRKH-KNBKMWSGSA-N
Mol Weight 480.7 g/mol
Molecular Formula C28H48O6
Exact Mass 480.345089 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 9r09YdzuekJ
Name Brassinolide
Source of Sample Cayman Chemical Company
Catalog Number 21594
Lot Number 0500208-1
Apodization Function Norton-Beer, medium
CAS Registry Number 72962-43-7
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O6
IUPAC Name (1R,3aS,3bS,10bS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8S,9R-dihydroxy-10aR,12aS-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6aS-one
InChI InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1
InChIKey IXVMHGVQKLDRKH-KNBKMWSGSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 480.686 g/mol
SMILES O[C@@]([C@@]([C@]([C@]1(CC[C@]2([C@]3([C@](CC[C@]12C)([C@@]1([C@@](C(OC3)=O)(C[C@@]([C@@](C1)(O)[H])(O)[H])[H])C)[H])[H])[H])[H])(C)[H])(O)[H])([C@](C(C)C)(C)[H])[H]
Source of Spectrum Forensic Spectral Research
Technique KBr0