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NOSCOMIN;8-[(5-CARBOXY-2-HYDROXY)-BENZYL]-2-HYDROXY-1,1,4A,7,8-PENTAMETHYL-1,2,3,4,4A,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE

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

NOSCOMIN;8-[(5-CARBOXY-2-HYDROXY)-BENZYL]-2-HYDROXY-1,1,4A,7,8-PENTAMETHYL-1,2,3,4,4A,6,7,8,8A,9,10,10A-DODECAHYDROPHENANTHRENE
SpectraBase Compound ID 4RvoDaxky56
InChI InChI=1S/C27H38O4/c1-16-6-8-19-20(9-11-22-25(2,3)23(29)12-13-26(19,22)4)27(16,5)15-18-14-17(24(30)31)7-10-21(18)28/h7-8,10,14,16,20,22-23,28-29H,6,9,11-13,15H2,1-5H3,(H,30,31)/t16-,20-,22-,23-,26+,27-/m1/s1
InChIKey HWGPBUBDNCZOBN-FVBFRTCBSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4f13pfRgYZv
Name 3-[[(1R,2R,4bR,7R,8aS,10aS)-1,2,4b,8,8-pentamethyl-7-oxidanyl-3,5,6,7,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl]-4-oxidanyl-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-16-6-8-19-20(9-11-22-25(2,3)23(29)12-13-26(19,22)4)27(16,5)15-18-14-17(24(30)31)7-10-21(18)28/h7-8,10,14,16,20,22-23,28-29H,6,9,11-13,15H2,1-5H3,(H,30,31)/t16-,20-,22-,23-,26+,27-/m1/s1
InChIKey HWGPBUBDNCZOBN-FVBFRTCBSA-N
Molecular Weight 426.597 g/mol
SMILES O[C@]1(C([C@@]2([C@](C=3[C@]([C@](Cc4c(ccc(c4)C(=O)O)O)([C@@](CC3)(C)[H])C)(CC2)[H])(CC1)C)[H])(C)C)[H]
SPLASH splash10-0a4i-0590000000-4b87e99fa89af9ed56ae
Source of Spectrum G4-62-503-0
Synonyms 3-[[(1R,2R,4bR,7R,8aS,10aS)-7-hydroxy-1,2,4b,8,8-pentamethyl-3,5,6,7,8a,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl]-4-hydroxy-benzoic acid Noscomin
Wiley ID 1607836