8-Methoxy-3-(Iodomethyl)-12a-methyldecahydropyrano[4,3-a]phenanthrene

SpectraBase Compound ID	1WjOZUFLpdq
InChI	InChI=1S/C26H31IO2/c1-26-12-11-23-22-10-8-20(28-16-18-5-3-2-4-6-18)13-19(22)7-9-24(23)25(26)14-21(15-27)29-17-26/h2-6,8,10,13,21,23-25H,7,9,11-12,14-17H2,1H3/t21?,23-,24-,25+,26-/m1/s1
InChIKey	OROIWHWELUUPMW-MSDQECDRSA-N Google Search
Mol Weight	502.44 g/mol
Molecular Formula	C26H31IO2
Exact Mass	502.136875 g/mol

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SpectraBase Spectrum ID	z9IOCjXDih
Name	8-Methoxy-3-(Iodomethyl)-12a-methyldecahydropyrano[4,3-a]phenanthrene
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H31IO2
InChI	InChI=1S/C26H31IO2/c1-26-12-11-23-22-10-8-20(28-16-18-5-3-2-4-6-18)13-19(22)7-9-24(23)25(26)14-21(15-27)29-17-26/h2-6,8,10,13,21,23-25H,7,9,11-12,14-17H2,1H3/t21?,23-,24-,25+,26-/m1/s1
InChIKey	OROIWHWELUUPMW-MSDQECDRSA-N
Molecular Weight	502.436 g/mol
SMILES	[C@]12([C@@](c3ccc(cc3CC2)OCc2ccccc2)(CC[C@]2([C@]1(CC(OC2)CI)[H])C)[H])[H]
SPLASH	splash10-0006-9000040000-56002675b153f8e2fc58
Source of Spectrum	QE-6-3758-13
Synonyms	8-benzyloxy-3-(Iodomethyl)-12a-methyldecahydropyrano[4,3-a]phenanthrene
Wiley ID	845076