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1,5-Methano-1H-naphtho[2,3-e][1,3,2]dioxaborocin-8,11-dione, 3-(4-bromophenyl)-5,6-dihydro-7,12-dihydroxy-9-methoxy-5-methyl-, [1S-(1.alpha.,5.alpha.)]-

View entire compound with spectra: 1 MS (GC)

1,5-Methano-1H-naphtho[2,3-e][1,3,2]dioxaborocin-8,11-dione, 3-(4-bromophenyl)-5,6-dihydro-7,12-dihydroxy-9-methoxy-5-methyl-, [1S-(1.alpha.,5.alpha.)]-
SpectraBase Compound ID 12YCVFLLvaZ
InChI InChI=1S/C22H18BBrO7/c1-22-8-12-16(15(9-22)30-23(31-22)10-3-5-11(24)6-4-10)21(28)17-13(25)7-14(29-2)20(27)18(17)19(12)26/h3-7,15,26,28H,8-9H2,1-2H3/t15-,22-/m0/s1
InChIKey MWCIXJXJIOAHKD-NYHFZMIOSA-N
Mol Weight 485.1 g/mol
Molecular Formula C22H18BBrO7
Exact Mass 484.032896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ICrP2GLh6e
Name 1,5-Methano-1H-naphtho[2,3-e][1,3,2]dioxaborocin-8,11-dione, 3-(4-bromophenyl)-5,6-dihydro-7,12-dihydroxy-9-methoxy-5-methyl-, [1S-(1.alpha.,5.alpha.)]-
Alternate Name(s) (1S,13S)-15-(4-bromophenyl)-3,10-dihydroxy-7-methoxy-13-methyl-14,16-dioxa-15-boratetracyclo[11.3.1.0(2,11).0(4,9)]heptadeca-2(11),3,6,9-tetraene-5,8-dione (1S,3S)-(+)-Austrocortirubin -p-bromophenylboronate
CAS Registry Number 129578-12-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18BBrO7
InChI InChI=1S/C22H18BBrO7/c1-22-8-12-16(15(9-22)30-23(31-22)10-3-5-11(24)6-4-10)21(28)17-13(25)7-14(29-2)20(27)18(17)19(12)26/h3-7,15,26,28H,8-9H2,1-2H3/t15-,22-/m0/s1
InChIKey MWCIXJXJIOAHKD-NYHFZMIOSA-N
Molecular Weight 485.093 g/mol
SMILES Oc1c2c(c(c3c1C(C(=CC3=O)OC)=O)O)[C@]1(OB(O[C@@](C2)(C1)C)c1ccc(cc1)Br)[H]
SPLASH splash10-003i-1020900000-0c357cc3abe3da5761e6
Source of Spectrum KC-1990-1590-21
Wiley ID 1395937