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(-)-1-[(1'S,4'R)-Camphanoyl]-(R)-spirobrassinin
SpectraBase Compound ID DxUntxUCN5D
InChI InChI=1S/C21H22N2O4S2/c1-18(2)19(3)9-10-21(18,27-16(19)26)15(25)23-13-8-6-5-7-12(13)20(14(23)24)11-22-17(28-4)29-20/h5-8H,9-11H2,1-4H3/t19-,20-,21+/m0/s1
InChIKey SHYMUJCIPQMRMM-PCCBWWKXSA-N
Mol Weight 430.54 g/mol
Molecular Formula C21H22N2O4S2
Exact Mass 430.1021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cni9pEzKZJ7
Name (-)-1-[(1'S,4'R)-Camphanoyl]-(R)-spirobrassinin
Alternate Name(s) 1-[(1'S,4'R)-Camphanoyl]-(R)-spirobrassinin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O4S2
InChI InChI=1S/C21H22N2O4S2/c1-18(2)19(3)9-10-21(18,27-16(19)26)15(25)23-13-8-6-5-7-12(13)20(14(23)24)11-22-17(28-4)29-20/h5-8H,9-11H2,1-4H3/t19-,20-,21+/m0/s1
InChIKey SHYMUJCIPQMRMM-PCCBWWKXSA-N
Molecular Weight 430.537 g/mol
SMILES C1(N(c2c([C@]11SC(SC)=NC1)cccc2)C([C@]12OC(=O)[C@](C2(C)C)(C)CC1)=O)=O
SPLASH splash10-0a59-0029600000-77d261723f95984b502e
Source of Spectrum C4-2000-887-6
Wiley ID 1520004