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Anisodorin 4

View entire compound with spectra: 1 MS (GC)

Anisodorin 4
SpectraBase Compound ID 2ex8eJaujMi
InChI InChI=1S/C25H42O6/c1-16(27)31-17(14-26)15-30-21(28)20-24(5)12-8-18-22(2,3)10-7-11-23(18,4)19(24)9-13-25(20,6)29/h17-20,26,29H,7-15H2,1-6H3/t17-,18+,19-,20+,23+,24-,25-/m0/s1
InChIKey DQLJXHAJXQDQAP-KOUISDIFSA-N
Mol Weight 438.6 g/mol
Molecular Formula C25H42O6
Exact Mass 438.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MIZBaZPl8A
Name Anisodorin 4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O6
InChI InChI=1S/C25H42O6/c1-16(27)31-17(14-26)15-30-21(28)20-24(5)12-8-18-22(2,3)10-7-11-23(18,4)19(24)9-13-25(20,6)29/h17-20,26,29H,7-15H2,1-6H3/t17-,18+,19-,20+,23+,24-,25-/m0/s1
InChIKey DQLJXHAJXQDQAP-KOUISDIFSA-N
Molecular Weight 438.605 g/mol
SMILES OC[C@@](COC([C@]1([C@](CC[C@@]2([C@@]1(CC[C@@]1(C(CCC[C@@]21C)(C)C)[H])C)[H])(O)C)[H])=O)(OC(=O)C)[H]
SPLASH splash10-016u-0910000000-c1e087fcb00e49cb8644
Source of Spectrum G4-62-272-4
Synonyms (1R,2S,4aS,4bR,8aR,10aS)-2-hydroxy-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylic acid[(2S)-2-acetoxy-3-hydroxy-propyl]ester (1R,2S,4aS,4bR,8aR,10aS)-2-hydroxy-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylic acid[(2S)-2-acetyloxy-3-hydroxypropyl]ester (1S)-2-hydroxy-1-[({[(5beta,8alpha,9beta,10alpha,13alpha,14alpha)-13-hydroxy-8,13-dimethylpodocarpan-14-yl]carbonyl}oxy)methyl]ethyl acetate [(2S)-2-acetoxy-3-hydroxy-propyl](1R,2S,4aS,4bR,8aR,10aS)-2-hydroxy-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate [(2S)-2-acetyloxy-3-hydroxypropyl](1R,2S,4aS,4bR,8aR,10aS)-2-hydroxy-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate [(2S)-2-acetyloxy-3-oxidanyl-propyl](1R,2S,4aS,4bR,8aR,10aS)-2,4b,8,8,10a-pentamethyl-2-oxidanyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate (1R,2S,4aS,4bR,8aR,10aS)-2-hydroxy-2,4b,8,8,10a-pentamethyl-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] (1R,2S,4aS,4bR,8aR,10aS)-2-hydroxy-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate [(2S)-2-acetoxy-3-hydroxy-propyl] (1R,2S,4aS,4bR,8aR,10aS)-2-hydroxy-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate [(2S)-2-acetyloxy-3-oxidanyl-propyl] (1R,2S,4aS,4bR,8aR,10aS)-2,4b,8,8,10a-pentamethyl-2-oxidanyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate
Wiley ID 1607710