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13-.beta.-Hydroxy-14.beta.-spongin-16-one
SpectraBase Compound ID IpcO22oRW9U
InChI InChI=1S/C20H32O3/c1-17(2)8-5-9-18(3)13(17)6-10-19(4)14(18)7-11-20(22)15(19)12-23-16(20)21/h13-15,22H,5-12H2,1-4H3/t13?,14?,15-,18+,19-,20-/m1/s1
InChIKey QQIJRGIKSPJNAQ-MKEFQEJESA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hQIECvBBFU
Name 13-.beta.-Hydroxy-14.beta.-spongin-16-one
Alternate Name(s) (3aS,3bR,9aS,11aR)-11a-hydroxy-3b,6,6,9a-tetramethyltetradecahydrophenanthro[1,2-c]furan-1(3H)-one
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Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-17(2)8-5-9-18(3)13(17)6-10-19(4)14(18)7-11-20(22)15(19)12-23-16(20)21/h13-15,22H,5-12H2,1-4H3/t13?,14?,15-,18+,19-,20-/m1/s1
InChIKey QQIJRGIKSPJNAQ-MKEFQEJESA-N
Molecular Weight 320.473 g/mol
SMILES O[C@]12[C@@]([C@]3(C([C@]4(CCCC(C4CC3)(C)C)C)CC2)C)(COC1=O)[H]
SPLASH splash10-00dl-0509000000-d2e6971f1dc25fb15140
Source of Spectrum KC-0-2198-21
Wiley ID 786357