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3-[(6aR,9R,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-ol (autogenerated)
SpectraBase Compound ID 8EyM9VgxPva
InChI InChI=1S/C28H40O6/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/h8,12-13,17-18,21-24,29H,5-7,9-11,14-16H2,1-4H3/t17-,18+,21?,22-,23-,24-/m1/s1
InChIKey WZYRVJWKTIGQEF-QRIZYHAJSA-N
Mol Weight 472.6 g/mol
Molecular Formula C28H40O6
Exact Mass 472.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KG64OJX5Xa7
Name 3-[(6aR,9R,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-ol (autogenerated)
Appearance Clear, colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40O6
InChI InChI=1S/C28H40O6/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/h8,12-13,17-18,21-24,29H,5-7,9-11,14-16H2,1-4H3/t17-,18+,21?,22-,23-,24-/m1/s1
InChIKey WZYRVJWKTIGQEF-QRIZYHAJSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm100390h
Molecular Weight 472.622 g/mol
SMILES OC1C[C@]2(C[C@](C=C(c3cc(c4c(OC([C@]5([C@]4(C[C@@](CC5)(OCOC)[H])[H])[H])(C)C)c3)OCOC)C2)(C1)[H])[H]
SPLASH splash10-01b9-8319800000-ec7a6dc3808f8bb785f5
Source of Spectrum AF-53-5665-56
Wiley ID 1846183