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Anisodorin 2

View entire compound with spectra: 1 MS (GC)

Anisodorin 2
SpectraBase Compound ID 7UKktCyo9dK
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)29-15-18(14-26)30-17(2)27/h18-21,26H,1,7-15H2,2-6H3/t18-,19+,20-,21+,24+,25-/m0/s1
InChIKey BJVNBLJKTOARRJ-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 EoR8ip9AHGu
Name Anisodorin 2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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)29-15-18(14-26)30-17(2)27/h18-21,26H,1,7-15H2,2-6H3/t18-,19+,20-,21+,24+,25-/m0/s1
InChIKey BJVNBLJKTOARRJ-RLBPEOPASA-N
Molecular Weight 420.590 g/mol
SMILES OC[C@](OC(=O)C)(COC([C@@]1([C@@]2([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CCC1=C)[H])C)[H])=O)[H]
SPLASH splash10-000f-0690000000-5eefae4f3b6c3bb7e40e
Source of Spectrum G4-62-272-2
Synonyms (1S)-2-hydroxy-1-[({[(5beta,8alpha,9beta,10alpha,14alpha)-8-methyl-13-methylenepodocarpan-14-yl]carbonyl}oxy)methyl]ethyl 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)-2-acetyloxy-3-hydroxypropyl] ester [(2S)-2-acetyloxy-3-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)-2-acetoxy-3-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)-2-acetyloxy-3-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
Wiley ID 1607712