(2S,3S,6R)-8-[(1R,2R,4aS,8aS)-8a-hydroxy-1,2,5,5-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]-3,6-dihydroxy-2,6-dimethyloctanoic acid methyl ester

SpectraBase Compound ID	4w8wTRe3RfO
InChI	InChI=1S/C25H46O5/c1-17-9-10-20-22(3,4)12-8-13-25(20,29)24(17,6)16-15-23(5,28)14-11-19(26)18(2)21(27)30-7/h17-20,26,28-29H,8-16H2,1-7H3/t17-,18+,19+,20+,23+,24-,25+/m1/s1
InChIKey	BFXACLHBXYNMSA-INXNGHJVSA-N Google Search
Mol Weight	426.6 g/mol
Molecular Formula	C25H46O5
Exact Mass	426.334525 g/mol

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SpectraBase Spectrum ID	K8tWI5j8btk
Name	(2S,3S,6R)-8-[(1R,2R,4aS,8aS)-8a-hydroxy-1,2,5,5-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]-3,6-dihydroxy-2,6-dimethyloctanoic acid methyl ester
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H46O5
InChI	InChI=1S/C25H46O5/c1-17-9-10-20-22(3,4)12-8-13-25(20,29)24(17,6)16-15-23(5,28)14-11-19(26)18(2)21(27)30-7/h17-20,26,28-29H,8-16H2,1-7H3/t17-,18+,19+,20+,23+,24-,25+/m1/s1
InChIKey	BFXACLHBXYNMSA-INXNGHJVSA-N
Molecular Weight	426.638 g/mol
SMILES	O[C@@](CC[C@@](CC[C@]1([C@]2([C@](C(C)(C)CCC2)(CC[C@]1(C)[H])[H])O)C)(O)C)([C@@](C(=O)OC)(C)[H])[H]
SPLASH	splash10-0002-9042400000-15ee39aabfc930654074
Source of Spectrum	J-58-3001-5
Synonyms	(2S,3S,6R)-8-[(1R,2R,4aS,8aS)-8a-hydroxy-1,2,5,5-tetramethyl-decalin-1-yl]-3,6-dihydroxy-2,6-dimethyl-caprylic acid methyl ester Methyl (2S,3S,6R)-8-[(1R,2R,4aS,8aS)-1,2,5,5-tetramethyl-8a-oxidanyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]-2,6-dimethyl-3,6-bis(oxidanyl)octanoate Methyl (2S,3S,6R)-8-[(1R,2R,4aS,8aS)-8a-hydroxy-1,2,5,5-tetramethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-yl]-3,6-dihydroxy-2,6-dimethyloctanoate Methyl (2S,3S,6R)-8-[(1R,2R,4aS,8aS)-8a-hydroxy-1,2,5,5-tetramethyl-decalin-1-yl]-3,6-dihydroxy-2,6-dimethyl-octanoate
Wiley ID	1380017