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1,2,4,5,5a,6,7,9a-Octahydro-5,8-dimethyl-3a,9b-dihydroxy-1-methylidenenaphtho[2,1-b]furan-7-yl-p-Bromobenzoate

View entire compound with spectra: 1 MS (GC)

1,2,4,5,5a,6,7,9a-Octahydro-5,8-dimethyl-3a,9b-dihydroxy-1-methylidenenaphtho[2,1-b]furan-7-yl-p-Bromobenzoate
SpectraBase Compound ID 2eBJAyhYSPJ
InChI InChI=1S/C22H25BrO5/c1-12-8-18-17(13(2)10-21(25)22(18,26)14(3)11-27-21)9-19(12)28-20(24)15-4-6-16(23)7-5-15/h4-8,13,17-19,25-26H,3,9-11H2,1-2H3/t13-,17+,18-,19+,21+,22+/m1/s1
InChIKey RCRVTGAXFSOBBS-PDABJYJKSA-N
Mol Weight 449.34 g/mol
Molecular Formula C22H25BrO5
Exact Mass 448.088537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUY2BZUgBHe
Name 1,2,4,5,5a,6,7,9a-Octahydro-5,8-dimethyl-3a,9b-dihydroxy-1-methylidenenaphtho[2,1-b]furan-7-yl-p-Bromobenzoate
Alternate Name(s) Strobilol e-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25BrO5
InChI InChI=1S/C22H25BrO5/c1-12-8-18-17(13(2)10-21(25)22(18,26)14(3)11-27-21)9-19(12)28-20(24)15-4-6-16(23)7-5-15/h4-8,13,17-19,25-26H,3,9-11H2,1-2H3/t13-,17+,18-,19+,21+,22+/m1/s1
InChIKey RCRVTGAXFSOBBS-PDABJYJKSA-N
Molecular Weight 449.341 g/mol
SMILES O[C@@]12[C@](C[C@]([C@@]3(C[C@@](C(=C[C@@]23[H])C)(OC(c2ccc(cc2)Br)=O)[H])[H])(C)[H])(OCC1=C)O
SPLASH splash10-02aa-0940100000-04d90f7bd7a027d742a6
Source of Spectrum H-91-1603-5a
Wiley ID 1693397