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1H-Naphtho[2,3-c]pyran-3-acetic acid, 3,4,4a,5,10,10a-hexahydro-9-methoxy-5-oxo-1-propyl-, methyl ester, (1.alpha.,3.alpha.,4a.beta.,10a.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-Naphtho[2,3-c]pyran-3-acetic acid, 3,4,4a,5,10,10a-hexahydro-9-methoxy-5-oxo-1-propyl-, methyl ester, (1.alpha.,3.alpha.,4a.beta.,10a.beta.)-(.+-.)-
SpectraBase Compound ID 7f2VYwPOHEF
InChI InChI=1S/C20H26O5/c1-4-6-18-15-11-14-13(7-5-8-17(14)23-2)20(22)16(15)9-12(25-18)10-19(21)24-3/h5,7-8,12,15-16,18H,4,6,9-11H2,1-3H3/t12-,15-,16-,18-/m1/s1
InChIKey LDEIJGGQIBXMNH-HALQFCHDSA-N
Mol Weight 346.42 g/mol
Molecular Formula C20H26O5
Exact Mass 346.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9iGq374RzXT
Name 1H-Naphtho[2,3-c]pyran-3-acetic acid, 3,4,4a,5,10,10a-hexahydro-9-methoxy-5-oxo-1-propyl-, methyl ester, (1.alpha.,3.alpha.,4a.beta.,10a.beta.)-(.+-.)-
CAS Registry Number 84847-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O5
InChI InChI=1S/C20H26O5/c1-4-6-18-15-11-14-13(7-5-8-17(14)23-2)20(22)16(15)9-12(25-18)10-19(21)24-3/h5,7-8,12,15-16,18H,4,6,9-11H2,1-3H3/t12-,15-,16-,18-/m1/s1
InChIKey LDEIJGGQIBXMNH-HALQFCHDSA-N
Molecular Weight 346.423 g/mol
SMILES [C@]12(C(c3cccc(c3C[C@]2([C@@](CCC)(O[C@](C1)(CC(=O)OC)[H])[H])[H])OC)=O)[H]
SPLASH splash10-0fk9-0973000000-88f12f86f4b0d1022ef0
Source of Spectrum C-105-2041-0
Synonyms 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,4aR,10aR)-9-methoxy-5-oxo-1-propyl-3,4,4a,5,10,10a-hexahydro-1H-naphtho[2,3-c]pyran-3-yl]acetate
Wiley ID 1339367