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1H-Naphtho[2,3-c]pyran-3-acetic acid, 3,4,10,10a-tetrahydro-5,9-dimethoxy-1-propyl-, methyl ester, (1.alpha.,3.alpha.,10a.beta.)-(.+-.)-
SpectraBase Compound ID Bc7md81tmMl
InChI InChI=1S/C21H28O5/c1-5-7-19-16-12-15-14(8-6-9-18(15)23-2)21(25-4)17(16)10-13(26-19)11-20(22)24-3/h6,8-9,13,16,19H,5,7,10-12H2,1-4H3/t13-,16-,19-/m1/s1
InChIKey FFEBGSCYWHTAEV-VVFCZOMOSA-N
Mol Weight 360.45 g/mol
Molecular Formula C21H28O5
Exact Mass 360.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1wpanuAamKo
Name 1H-Naphtho[2,3-c]pyran-3-acetic acid, 3,4,10,10a-tetrahydro-5,9-dimethoxy-1-propyl-, methyl ester, (1.alpha.,3.alpha.,10a.beta.)-(.+-.)-
Alternate Name(s) Methyl(1RS,3RS,4aRS,9aRS)-(1,3,4,4a,9,9a-hexahydro-8-methoxy-10-oxo-1-propyl-2-oxa-3-anthryl)acetate Methyl[(1R,3R,10aR)-5,9-dimethoxy-1-propyl-3,4,10,10a-tetrahydro-1H-naphtho[2,3-c]pyran-3-yl]acetate
CAS Registry Number 84801-05-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O5
InChI InChI=1S/C21H28O5/c1-5-7-19-16-12-15-14(8-6-9-18(15)23-2)21(25-4)17(16)10-13(26-19)11-20(22)24-3/h6,8-9,13,16,19H,5,7,10-12H2,1-4H3/t13-,16-,19-/m1/s1
InChIKey FFEBGSCYWHTAEV-VVFCZOMOSA-N
Molecular Weight 360.450 g/mol
SMILES C12=C(c3cccc(c3C[C@]2([C@@](CCC)(O[C@](C1)(CC(=O)OC)[H])[H])[H])OC)OC
SPLASH splash10-000i-0491000000-a03b07826cef1b3a481b
Source of Spectrum C-105-2041-0
Wiley ID 1348441