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((1R*,3R*,5S*,6R*,7S*,9S*)-5-(2'-Acetoxy-1',5'-dimethyl-4'-en-1'-yl)-2,8-dimethylenebicyclo[5.3.0]decan-3,6,9-triol
SpectraBase Compound ID 9aOalq1CA5t
InChI InChI=1S/C22H34O5/c1-11(2)7-8-20(27-15(6)23)13(4)17-10-18(24)12(3)16-9-19(25)14(5)21(16)22(17)26/h7,13,16-22,24-26H,3,5,8-10H2,1-2,4,6H3/t13?,16-,17-,18+,19-,20?,21+,22+/m0/s1
InChIKey AWSNPEHUHVSKNW-ZJHFFTHTSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMQ8XjGFDOe
Name ((1R*,3R*,5S*,6R*,7S*,9S*)-5-(2'-Acetoxy-1',5'-dimethyl-4'-en-1'-yl)-2,8-dimethylenebicyclo[5.3.0]decan-3,6,9-triol
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Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-11(2)7-8-20(27-15(6)23)13(4)17-10-18(24)12(3)16-9-19(25)14(5)21(16)22(17)26/h7,13,16-22,24-26H,3,5,8-10H2,1-2,4,6H3/t13?,16-,17-,18+,19-,20?,21+,22+/m0/s1
InChIKey AWSNPEHUHVSKNW-ZJHFFTHTSA-N
Molecular Weight 378.509 g/mol
SMILES O[C@]1(C([C@]2([C@@](C([C@](C2)(O)[H])=C)([C@@]([C@@](C1)(C(C(OC(=O)C)CC=C(C)C)C)[H])(O)[H])[H])[H])=C)[H]
SPLASH splash10-052f-9701000000-27d35c3df3b41cb9d99c
Source of Spectrum F-49-579-3
Synonyms Acetic acid [2-[(2S,3aS,4R,5S,7R,8aR)-2,4,7-trihydroxy-3,8-dimethylene-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]-6-methylhept-5-en-3-yl] ester [2-[(2S,3aS,4R,5S,7R,8aR)-2,4,7-trihydroxy-3,8-dimethylidene-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]-6-methylhept-5-en-3-yl] acetate [1-[1-[(2S,3aS,4R,5S,7R,8aR)-2,4,7-trihydroxy-3,8-dimethylene-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]ethyl]-4-methyl-pent-3-enyl] acetate [2-[(2S,3aS,4R,5S,7R,8aR)-3,8-dimethylidene-2,4,7-tris(oxidanyl)-1,2,3a,4,5,6,7,8a-octahydroazulen-5-yl]-6-methyl-hept-5-en-3-yl] ethanoate
Wiley ID 1358890