(+-)-(1R*,5R*,6S*,7S*,8R*,9R*,10R*)-7,9-Diibenzyloxy-8-methyl-5-(4'-bromomethyl-3',5'-dioxahept-2'-yl)-10-hydroxybicyclo[4.4.0]decan-3-one isomer

SpectraBase Compound ID	I1Dq6MRqChW
InChI	InChI=1S/C31H41BrO6/c1-4-35-27(17-32)38-21(3)25-15-24(33)16-26-28(25)30(36-18-22-11-7-5-8-12-22)20(2)31(29(26)34)37-19-23-13-9-6-10-14-23/h5-14,20-21,25-31,34H,4,15-19H2,1-3H3/t20-,21+,25+,26-,27?,28+,29-,30-,31-/m1/s1
InChIKey	FAYFSEABVSMWRJ-FPIXHXBASA-N Google Search
Mol Weight	589.6 g/mol
Molecular Formula	C31H41BrO6
Exact Mass	588.208652 g/mol

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SpectraBase Spectrum ID	4sgE8aA9UiT
Name	(+-)-(1R,5R,6S,7S,8R,9R,10R*)-7,9-Diibenzyloxy-8-methyl-5-(4'-bromomethyl-3',5'-dioxahept-2'-yl)-10-hydroxybicyclo[4.4.0]decan-3-one isomer
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H41BrO6
InChI	InChI=1S/C31H41BrO6/c1-4-35-27(17-32)38-21(3)25-15-24(33)16-26-28(25)30(36-18-22-11-7-5-8-12-22)20(2)31(29(26)34)37-19-23-13-9-6-10-14-23/h5-14,20-21,25-31,34H,4,15-19H2,1-3H3/t20-,21+,25+,26-,27?,28+,29-,30-,31-/m1/s1
InChIKey	FAYFSEABVSMWRJ-FPIXHXBASA-N
Molecular Weight	589.567 g/mol
SMILES	O[C@]1([C@](OCc2ccccc2)([C@@]([C@]([C@@]2([C@]1(CC(C[C@]2([C@@](OC(OCC)CBr)(C)[H])[H])=O)[H])[H])(OCc1ccccc1)[H])(C)[H])[H])[H]
SPLASH	splash10-0f7o-5922100000-592c9d0557db936447d2
Source of Spectrum	KC-57-3058-31
Synonyms	(+-)-(1R,5R,6S,7S,8R,9R,10R*)-7,9-Diibenzyloxy-8-methyl-5-(4'-bromomethyl-3',5'-dioxahept-2'-yl)-10-hydroxybicyclo[4.4.0]decan-3-one (4R,4aR,5S,6R,7R,8R,8aR)-4-[(1S)-1-(2-bromo-1-ethoxyethoxy)ethyl]-8-hydroxy-6-methyl-5,7-bis(phenylmethoxy)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one (4R,4aR,5S,6R,7R,8R,8aR)-5,7-dibenzyloxy-4-[(1S)-1-(2-bromo-1-ethoxy-ethoxy)ethyl]-8-hydroxy-6-methyl-decalin-2-one (4R,4aR,5S,6R,7R,8R,8aR)-4-[(1S)-1-(2-bromanyl-1-ethoxy-ethoxy)ethyl]-6-methyl-8-oxidanyl-5,7-bis(phenylmethoxy)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
Wiley ID	1623694