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Methandriol dipropionate
SpectraBase Compound ID 9pD1VefkbTs
InChI InChI=1S/C26H40O4/c1-6-22(27)29-18-10-13-24(3)17(16-18)8-9-19-20(24)11-14-25(4)21(19)12-15-26(25,5)30-23(28)7-2/h8,18-21H,6-7,9-16H2,1-5H3/t18-,19+,20-,21-,24-,25-,26+/m0/s1
InChIKey YUKFLTKJFMBYJM-XBIABUBVSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7zSmSuh8lB
Name Methandriol Dipropionate
Alternate Name(s) (3S,8R,9S,10R,13S,14S,17R)-10,13,17-trimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl dipropionate
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Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-6-22(27)29-18-10-13-24(3)17(16-18)8-9-19-20(24)11-14-25(4)21(19)12-15-26(25,5)30-23(28)7-2/h8,18-21H,6-7,9-16H2,1-5H3/t18-,19+,20-,21-,24-,25-,26+/m0/s1
InChIKey YUKFLTKJFMBYJM-XBIABUBVSA-N
Molecular Weight 416.602 g/mol
SMILES [C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC=C2C1)[H])[H])(C)OC(CC)=O)C)[H])C)(OC(CC)=O)[H]
SPLASH splash10-0a4l-5931000000-260f69e7920ec5ff98ff
Source of Spectrum SWG-33-1850-0
Wiley ID 1809403