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CAESALDEKARIN

View entire compound with spectra: 1 NMR, and 2 MS (GC)

CAESALDEKARIN
SpectraBase Compound ID lOe8w88Od9
InChI InChI=1S/C22H32O4/c1-13-15-7-10-25-18(15)12-17-16(13)11-19(26-14(2)23)22(24)20(3,4)8-6-9-21(17,22)5/h7,10,13,16-17,19,24H,6,8-9,11-12H2,1-5H3/t13-,16-,17-,19+,21+,22+/m0/s1
InChIKey ALHFWFVPZTXDOE-WKPPJLGDSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELHNUtvNX3c
Name Caesaldekarin A
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-13-15-7-10-25-18(15)12-17-16(13)11-19(26-14(2)23)22(24)20(3,4)8-6-9-21(17,22)5/h7,10,13,16-17,19,24H,6,8-9,11-12H2,1-5H3/t13-,16-,17-,19+,21+,22+/m0/s1
InChIKey ALHFWFVPZTXDOE-WKPPJLGDSA-N
Molecular Weight 360.494 g/mol
SMILES O[C@@]12[C@@]([C@@]3([C@]([C@@](C)(c4c(C3)occ4)[H])(C[C@]2(OC(=O)C)[H])[H])[H])(CCCC1(C)C)C
SPLASH splash10-0a4i-0903000000-26341ca5d34fe76ac76b
Source of Spectrum E1-42-1801-1
Synonyms (4aR,5R,6aS,7R,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-5-yl acetate acetic acid[(4aR,5R,6aS,7R,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-5-yl]ester [(4aR,5R,6aS,7R,11aS,11bR)-4,4,7,11b-tetramethyl-4a-oxidanyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl]ethanoate [(4aR,5R,6aS,7R,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] acetate [(4aR,5R,6aS,7R,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-5-yl]acetate [(4aR,5R,6aS,7R,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f]benzofuran-5-yl] acetate [(4aR,5R,6aS,7R,11aS,11bR)-4a-hydroxy-4,4,7,11b-tetramethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl]acetate [(4aR,5R,6aS,7R,11aS,11bR)-4,4,7,11b-tetramethyl-4a-oxidanyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-5-yl] ethanoate
Wiley ID 1552765