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Anisodorin 1

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Anisodorin 1
SpectraBase Compound ID Lk6RONAhHWs
InChI InChI=1S/C25H40O5/c1-16-8-9-20-24(5)12-7-11-23(3,4)19(24)10-13-25(20,6)21(16)22(28)30-15-18(27)14-29-17(2)26/h18-21,27H,1,7-15H2,2-6H3/t18-,19+,20-,21+,24+,25-/m0/s1
InChIKey MRIXNVIBMMFXCM-RLBPEOPASA-N
Mol Weight 420.6 g/mol
Molecular Formula C25H40O5
Exact Mass 420.287574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHFrKniSMor
Name Anisodorin 1
Alternate Name(s) (2S)-2-hydroxy-3-({[(5beta,8alpha,9beta,10alpha,14alpha)-8-methyl-13-methylenepodocarpan-14-yl]carbonyl}oxy)propyl acetate (1S,4aS,4bR,8aR,10aS)-4b,8,8,10a-tetramethyl-2-methylene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylic acid [(2S)-3-acetyloxy-2-hydroxypropyl] ester [(2S)-3-acetyloxy-2-hydroxypropyl] (1S,4aS,4bR,8aR,10aS)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate [(2S)-3-acetoxy-2-hydroxy-propyl] (1S,4aS,4bR,8aR,10aS)-4b,8,8,10a-tetramethyl-2-methylene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate [(2S)-3-acetyloxy-2-oxidanyl-propyl] (1S,4aS,4bR,8aR,10aS)-4b,8,8,10a-tetramethyl-2-methylidene-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate
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Formula C25H40O5
InChI InChI=1S/C25H40O5/c1-16-8-9-20-24(5)12-7-11-23(3,4)19(24)10-13-25(20,6)21(16)22(28)30-15-18(27)14-29-17(2)26/h18-21,27H,1,7-15H2,2-6H3/t18-,19+,20-,21+,24+,25-/m0/s1
InChIKey MRIXNVIBMMFXCM-RLBPEOPASA-N
Molecular Weight 420.590 g/mol
SMILES O[C@](COC([C@@]1([C@@]2([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CCC1=C)[H])C)[H])=O)(COC(=O)C)[H]
SPLASH splash10-014l-9740000000-f6c8075666297535eb99
Source of Spectrum G4-62-272-1
Wiley ID 1607713