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3-[(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]bicyclo[3.3.1]non-3-en-7-one (autogenerated)

View entire compound with spectra: 1 MS (GC)

3-[(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]bicyclo[3.3.1]non-3-en-7-one (autogenerated)
SpectraBase Compound ID H9WIvY3TI0Q
InChI InChI=1S/C28H38O6/c1-28(2)24-6-5-22(32-15-30-3)14-23(24)27-25(33-16-31-4)12-20(13-26(27)34-28)19-8-17-7-18(9-19)11-21(29)10-17/h8,12-13,17-18,22-24H,5-7,9-11,14-16H2,1-4H3/t17-,18+,22+,23-,24-/m1/s1
InChIKey MXRQDMDMNHKROW-SFIYLJHVSA-N
Mol Weight 470.6 g/mol
Molecular Formula C28H38O6
Exact Mass 470.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HTV18fNWze
Name 3-[(6aR,9S,10aR)-1,9-bis(methoxymethoxy)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-3-yl]bicyclo[3.3.1]non-3-en-7-one (autogenerated)
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O6
InChI InChI=1S/C28H38O6/c1-28(2)24-6-5-22(32-15-30-3)14-23(24)27-25(33-16-31-4)12-20(13-26(27)34-28)19-8-17-7-18(9-19)11-21(29)10-17/h8,12-13,17-18,22-24H,5-7,9-11,14-16H2,1-4H3/t17-,18+,22+,23-,24-/m1/s1
InChIKey MXRQDMDMNHKROW-SFIYLJHVSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100390h
Molecular Weight 470.606 g/mol
SMILES C1[C@@](C[C@@]2([C@@](C1)(C(Oc1c2c(cc(c1)C1=C[C@]2(C[C@@](C1)(CC(C2)=O)[H])[H])OCOC)(C)C)[H])[H])(OCOC)[H]
SPLASH splash10-0cdi-3069100000-f430bfa3b89f97ad9a02
Source of Spectrum AF-53-SM16-55
Wiley ID 1846202