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Verrucosin-9
SpectraBase Compound ID 3SzyKFUyos0
InChI InChI=1S/C25H41ClO5/c1-16(28)31-17(14-27)15-30-21(29)20-24(5)12-8-18-22(2,3)10-7-11-23(18,4)19(24)9-13-25(20,6)26/h17-20,27H,7-15H2,1-6H3/t17-,18?,19?,20+,23+,24-,25-/m0/s1
InChIKey HKLSBMAZXWJVOL-XCHXKWLHSA-N
Mol Weight 457.1 g/mol
Molecular Formula C25H41ClO5
Exact Mass 456.264252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8saESqZ2xp0
Name Verrucosin-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H41ClO5
InChI InChI=1S/C25H41ClO5/c1-16(28)31-17(14-27)15-30-21(29)20-24(5)12-8-18-22(2,3)10-7-11-23(18,4)19(24)9-13-25(20,6)26/h17-20,27H,7-15H2,1-6H3/t17-,18?,19?,20+,23+,24-,25-/m0/s1
InChIKey HKLSBMAZXWJVOL-XCHXKWLHSA-N
Molecular Weight 457.051 g/mol
SMILES OC[C@](OC(=O)C)(COC([C@@]1([C@@]2(C([C@]3(C(C(CCC3)(C)C)CC2)C)CC[C@@]1(Cl)C)C)[H])=O)[H]
SPLASH splash10-00kf-0930000000-94db8e00749d57dff84d
Source of Spectrum F-53-1502-12
Synonyms (1S,2S,4bR,10aS)-2-chloro-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] (1S,2S,4bR,10aS)-2-chloro-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] (1S,2S,4bR,10aS)-2-chloro-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] (1S,2S,4bR,10aS)-2-chloranyl-2,4b,8,8,10a-pentamethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1-carboxylate
Wiley ID 800263