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ANISODORIN-5
SpectraBase Compound ID 5cRSSELSJDa
InChI InChI=1S/C24H40O5/c1-16(25)28-14-20-23(6)12-8-18-21(3,4)10-7-11-22(18,5)19(23)9-13-24(20,27)15-29-17(2)26/h18-20,27H,7-15H2,1-6H3/t18-,19+,20-,22-,23+,24+/m1/s1
InChIKey QJBPQDKOQUZRJS-JQBUYCCYSA-N
Mol Weight 408.6 g/mol
Molecular Formula C24H40O5
Exact Mass 408.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uteq76BrCG
Name [(1S,2R,4aS,4bR,8aR,10aS)-2-(acetoxymethyl)-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methyl acetate
Alternate Name(s) [(1S,2R,4aS,4bR,8aR,10aS)-2-(acetyloxymethyl)-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methyl acetate [(1S,2R,4aS,4bR,8aR,10aS)-2-(acetyloxymethyl)-4b,8,8,10a-tetramethyl-2-oxidanyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methyl ethanoate Acetic acid [(1S,2R,4aS,4bR,8aR,10aS)-2-(acetyloxymethyl)-2-hydroxy-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-1-yl]methyl ester
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Formula C24H40O5
InChI InChI=1S/C24H40O5/c1-16(25)28-14-20-23(6)12-8-18-21(3,4)10-7-11-22(18,5)19(23)9-13-24(20,27)15-29-17(2)26/h18-20,27H,7-15H2,1-6H3/t18-,19+,20-,22-,23+,24+/m1/s1
InChIKey QJBPQDKOQUZRJS-JQBUYCCYSA-N
Molecular Weight 408.579 g/mol
SMILES O[C@]1([C@@]([C@@]2([C@]([C@]3([C@@](C(CCC3)(C)C)(CC2)[H])C)(CC1)[H])C)(COC(=O)C)[H])COC(=O)C
SPLASH splash10-014i-9630000000-7d2908827b5d40092954
Source of Spectrum G4-62-272-5
Wiley ID 1607706