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5.beta.-Acetoxyneoverrucosane
SpectraBase Compound ID Jc7PCYCySUO
InChI InChI=1S/C22H36O2/c1-13(2)15-7-8-20(4)9-10-21(5)12-17(24-14(3)23)22(6)11-16(22)19(21)18(15)20/h13,15-19H,7-12H2,1-6H3/t15-,16+,17-,18?,19-,20-,21+,22+/m1/s1
InChIKey LHTATTXOIKVTGC-NSRJQWCHSA-N
Mol Weight 332.5 g/mol
Molecular Formula C22H36O2
Exact Mass 332.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYpwDbmjvZs
Name 5.beta.-Acetoxyneoverrucosane
Alternate Name(s) (1aS,2R,3aS,5aR,8R,8bR,8cS)-8-isopropyl-1a,3a,5a-trimethyltetradecahydrocyclopenta[a]cyclopropa[h]naphthalen-2-yl acetate
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Formula C22H36O2
InChI InChI=1S/C22H36O2/c1-13(2)15-7-8-20(4)9-10-21(5)12-17(24-14(3)23)22(6)11-16(22)19(21)18(15)20/h13,15-19H,7-12H2,1-6H3/t15-,16+,17-,18?,19-,20-,21+,22+/m1/s1
InChIKey LHTATTXOIKVTGC-NSRJQWCHSA-N
Molecular Weight 332.528 g/mol
SMILES [C@@]12([C@@]([C@@]3(C4[C@@](CC[C@@]4(C(C)C)[H])(C)CC[C@]3(C[C@]1(OC(=O)C)[H])C)[H])([H])C2)C
SPLASH splash10-0006-9173000000-70e8589f5466c012340f
Source of Spectrum M-30-327-15
Wiley ID 243050