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(6S)-1,1'-(Ethane-1",2"-diyl)-bis[decahydro-5,5,8a-trimethylnaphthalene-2,6-diol]
SpectraBase Compound ID 4L0lwOOHhjD
InChI InChI=1S/C28H50O4/c1-25(2)21-11-9-19(29)17(27(21,5)15-13-23(25)31)7-8-18-20(30)10-12-22-26(3,4)24(32)14-16-28(18,22)6/h17-24,29-32H,7-16H2,1-6H3/t17?,18?,19?,20?,21?,22?,23-,24?,27?,28?/m0/s1
InChIKey AGTWEFWCYVDEIC-RZVQQTDOSA-N
Mol Weight 450.7 g/mol
Molecular Formula C28H50O4
Exact Mass 450.37091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Y9L6YeB9jN
Name (6S)-1,1'-(Ethane-1",2"-diyl)-bis[decahydro-5,5,8a-trimethylnaphthalene-2,6-diol]
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Formula C28H50O4
InChI InChI=1S/C28H50O4/c1-25(2)21-11-9-19(29)17(27(21,5)15-13-23(25)31)7-8-18-20(30)10-12-22-26(3,4)24(32)14-16-28(18,22)6/h17-24,29-32H,7-16H2,1-6H3/t17?,18?,19?,20?,21?,22?,23-,24?,27?,28?/m0/s1
InChIKey AGTWEFWCYVDEIC-RZVQQTDOSA-N
Molecular Weight 450.704 g/mol
SMILES O[C@@]1(C(C2C(C(CCC3C(CCC4C3(CCC(C4(C)C)O)C)O)C(CC2)O)(CC1)C)(C)C)[H]
SPLASH splash10-004l-0900100000-d4605efc3cbe49aee67d
Source of Spectrum C-88-244-1
Synonyms (2S)-5-[2-(2,6-dihydroxy-5,5,8a-trimethyldecahydro-1-naphthalenyl)ethyl]-1,1,4a-trimethyldecahydro-2,6-naphthalenediol
Wiley ID 1590138