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17-Norkauran-16-one, 2-(acetyloxy)-3-bromo-, (2.alpha.,3.beta.)-
SpectraBase Compound ID J3Zl3M5zu5G
InChI InChI=1S/C21H31BrO3/c1-12(23)25-15-11-20(4)16(19(2,3)18(15)22)7-8-21-9-13(14(24)10-21)5-6-17(20)21/h13,15-18H,5-11H2,1-4H3/t13-,15+,16-,17+,18-,20-,21+/m0/s1
InChIKey DSYJLORPYAIJMJ-HXUHYGAYSA-N
Mol Weight 411.38 g/mol
Molecular Formula C21H31BrO3
Exact Mass 410.145658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CE482LzEyOk
Name 17-Norkauran-16-one, 2-(acetyloxy)-3-bromo-, (2.alpha.,3.beta.)-
Alternate Name(s) (1R,4R,6R,7R,9R,10S,13S)-6-bromo-5,5,9-trimethyl-14-oxotetracyclo[11.2.1.0(1,10).0(4,9)]hexadec-7-yl acetate 1H-2,10a-Ethanophenanthrene, 17-norkauran-16-one deriv. ent-2.beta.-acetoxy-3.alpha.-bromo-17-norkauran-16-one
CAS Registry Number 66550-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31BrO3
InChI InChI=1S/C21H31BrO3/c1-12(23)25-15-11-20(4)16(19(2,3)18(15)22)7-8-21-9-13(14(24)10-21)5-6-17(20)21/h13,15-18H,5-11H2,1-4H3/t13-,15+,16-,17+,18-,20-,21+/m0/s1
InChIKey DSYJLORPYAIJMJ-HXUHYGAYSA-N
Molecular Weight 411.380 g/mol
SMILES [C@@]12([C@](C(C)(C)[C@]([C@@](C2)(OC(=O)C)[H])(Br)[H])(CC[C@]23[C@@]1(CC[C@@](C3)(C(C2)=O)[H])[H])[H])C
SPLASH splash10-000x-9632000000-cc80d35b179e055c6eb0
Source of Spectrum KC-1977-2323-0
Wiley ID 1373584