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(3S)-2',2'-dimethoxy-spiro[cholestane-3,1'-cyclobutan]-3'-one
SpectraBase Compound ID 76i9JYEKWKe
InChI InChI=1S/C32H54O3/c1-21(2)9-8-10-22(3)25-13-14-26-24-12-11-23-19-31(20-28(33)32(31,34-6)35-7)18-17-29(23,4)27(24)15-16-30(25,26)5/h21-27H,8-20H2,1-7H3/t22-,23?,24+,25-,26+,27+,29+,30-,31+/m1/s1
InChIKey TXVQVZCZFSRKID-OBQWVODISA-N
Mol Weight 486.8 g/mol
Molecular Formula C32H54O3
Exact Mass 486.407296 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bvs5EOObIuJ
Name (3S)-2',2'-dimethoxy-spiro[cholestane-3,1'-cyclobutan]-3'-one
Alternate Name(s) (1S,1'S,2'S,10'R,11'S,14'R,15'R)-4,4-dimethoxy-2',15'-dimethyl-14'-[(2R)-6-methylheptan-2-yl]spiro[cyclobutane-1,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-3-one
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Formula C32H54O3
InChI InChI=1S/C32H54O3/c1-21(2)9-8-10-22(3)25-13-14-26-24-12-11-23-19-31(20-28(33)32(31,34-6)35-7)18-17-29(23,4)27(24)15-16-30(25,26)5/h21-27H,8-20H2,1-7H3/t22-,23?,24+,25-,26+,27+,29+,30-,31+/m1/s1
InChIKey TXVQVZCZFSRKID-OBQWVODISA-N
Molecular Weight 486.781 g/mol
SMILES [C@@]12(CC[C@]3(C(C2)CC[C@]2([C@@]4(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]4(C)CC[C@]32[H])[H])[H])[H])C)C(C(C1)=O)(OC)OC
SPLASH splash10-0550-8900600000-eb396838f29b0b8cbe72
Source of Spectrum U-1993-618-9
Wiley ID 764969