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(-)-7-ALPHA-ACETOXY-17-BETA-HYDROXY-15-BETA,17-EPOXYSPONGIAN-16-ONE;APLYROSEOL-2
SpectraBase Compound ID 7VRJM8zzIA8
InChI InChI=1S/C22H32O6/c1-11(23)26-15-10-14-20(2,3)8-5-9-21(14,4)13-7-6-12-16-18(27-17(12)24)28-19(25)22(13,15)16/h12-16,18-19,25H,5-10H2,1-4H3/t12-,13?,14?,15-,16+,18+,19-,21-,22-/m1/s1
InChIKey SJUIUZNWNSLYJG-OQVFBAAKSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cNndIWVVNu
Name [3R-(3a.alpha.,5aS,7a.alpha.,11a.beta.,11b.alpha.]-(+)-6.alpha.-Acetoxy-1,3a,6,7,7a,8,9,10,11,11a,11b-Dodecahydro-6.alpha.-hydroxy-8,8,11a-trimethyl-2H-cyclobuta[j]phenanthrene-3.beta.-carboxylic acid
Alternate Name(s) (2aR,4aS,5R,10aS,12aR,12bR)-4-hydroxy-7,7,10a-trimethyl-1-oxotetradecahydro-1H-furo[2,3,4-cd]naphtho[2,1-e][2]benzofuran-5-yl acetate
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Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-11(23)26-15-10-14-20(2,3)8-5-9-21(14,4)13-7-6-12-16-18(27-17(12)24)28-19(25)22(13,15)16/h12-16,18-19,25H,5-10H2,1-4H3/t12-,13?,14?,15-,16+,18+,19-,21-,22-/m1/s1
InChIKey SJUIUZNWNSLYJG-OQVFBAAKSA-N
Molecular Weight 392.492 g/mol
SMILES O[C@]1([C@@]23[C@@]4([C@](OC([C@]4([H])CCC3[C@]3(CCCC(C3C[C@]2(OC(=O)C)[H])(C)C)C)=O)([H])O1)[H])[H]
SPLASH splash10-0006-9300000000-114c4cd4990e2f7d69d2
Source of Spectrum KC-1993-1866-14
Wiley ID 778599