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Verrucosin-1

View entire compound with spectra: 1 MS (GC)

Verrucosin-1
SpectraBase Compound ID EwvBvQjnh4t
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/h8-9,16,18-21,27H,7,10-15H2,1-6H3/t16-,18+,19?,20?,21-,24-,25+/m1/s1
InChIKey QGHZNFCWCVJEOX-DVZJWNOWSA-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 215AvktIJYU
Name Verrucosin-1
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)30-15-18(27)14-29-17(2)26/h8-9,16,18-21,27H,7,10-15H2,1-6H3/t16-,18+,19?,20?,21-,24-,25+/m1/s1
InChIKey QGHZNFCWCVJEOX-DVZJWNOWSA-N
Molecular Weight 420.590 g/mol
SMILES O[C@](COC([C@@]1([C@@]2(C([C@@]3(CCCC(C3CC2)(C)C)C)C=C[C@]1(C)[H])C)[H])=O)(COC(=O)C)[H]
SPLASH splash10-05fr-0950000000-76345af92b7f8f922f15
Source of Spectrum F-53-1500-4
Synonyms (1S,2R,4bR,10aS)-2,4b,8,8,10a-pentamethyl-2,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylic acid[(2S)-3-acetoxy-2-hydroxy-propyl]ester (1S,2R,4bR,10aS)-2,4b,8,8,10a-pentamethyl-2,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylic acid[(2S)-3-acetyloxy-2-hydroxypropyl]ester (2S)-3-({[(8alpha,10alpha,13beta,14alpha)-8,13-dimethylpodocarp-11-en-14-yl]carbonyl}oxy)-2-hydroxypropyl acetate Verrucosin-6 [(2S)-3-acetoxy-2-hydroxy-propyl](1S,2R,4bR,10aS)-2,4b,8,8,10a-pentamethyl-2,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate [(2S)-3-acetyloxy-2-hydroxypropyl](1S,2R,4bR,10aS)-2,4b,8,8,10a-pentamethyl-2,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate [(2S)-3-acetyloxy-2-oxidanyl-propyl](1S,2R,4bR,10aS)-2,4b,8,8,10a-pentamethyl-2,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate (1S,2R,4bR,10aS)-2,4b,8,8,10a-pentamethyl-2,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylic acid [(2S)-3-acetyloxy-2-hydroxypropyl] ester [(2S)-3-acetyloxy-2-hydroxypropyl] (1S,2R,4bR,10aS)-2,4b,8,8,10a-pentamethyl-2,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate [(2S)-3-acetoxy-2-hydroxy-propyl] (1S,2R,4bR,10aS)-2,4b,8,8,10a-pentamethyl-2,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate [(2S)-3-acetyloxy-2-oxidanyl-propyl] (1S,2R,4bR,10aS)-2,4b,8,8,10a-pentamethyl-2,4a,5,6,7,8a,9,10-octahydro-1H-phenanthrene-1-carboxylate
Wiley ID 800271