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6-Epi-.alpha.-verbesinol p-coumarate
SpectraBase Compound ID IduJwRBbYwQ
InChI InChI=1S/C24H32O3/c1-16(2)20-13-15-24(4)14-5-6-17(3)22(24)23(20)27-21(26)12-9-18-7-10-19(25)11-8-18/h6-12,16,20,22-23,25H,5,13-15H2,1-4H3/b12-9+/t20-,22+,23-,24+/m0/s1
InChIKey KKYIBEYOWUAQME-KIZCZYHWSA-N
Mol Weight 368.5 g/mol
Molecular Formula C24H32O3
Exact Mass 368.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IO7gUGZsBXF
Name 6-Epi-.alpha.-verbesinol p-coumarate
Alternate Name(s) (1S,2S,4aR,8aR)-2-isopropyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydro-1-naphthalenyl (2E)-3-(4-hydroxyphenyl)-2-propenoate (E)-3-(4-hydroxyphenyl)-2-propenoic acid[(1S,2S,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl]ester (E)-3-(4-hydroxyphenyl)acrylic acid[(1S,2S,4aR,8aR)-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl]ester [(1S,2S,4aR,8aR)-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl](E)-3-(4-hydroxyphenyl)prop-2-enoate [(1S,2S,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl](E)-3-(4-hydroxyphenyl)prop-2-enoate (E)-3-(4-hydroxyphenyl)-2-propenoic acid [(1S,2S,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl] ester [(1S,2S,4aR,8aR)-2-isopropyl-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate [(1S,2S,4aR,8aR)-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-1-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
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Formula C24H32O3
InChI InChI=1S/C24H32O3/c1-16(2)20-13-15-24(4)14-5-6-17(3)22(24)23(20)27-21(26)12-9-18-7-10-19(25)11-8-18/h6-12,16,20,22-23,25H,5,13-15H2,1-4H3/b12-9+/t20-,22+,23-,24+/m0/s1
InChIKey KKYIBEYOWUAQME-KIZCZYHWSA-N
Molecular Weight 368.517 g/mol
SMILES Oc1ccc(\C=C\C(O[C@@]2([C@@]3([C@@](CCC=C3C)(C)CC[C@]2(C(C)C)[H])[H])[H])=O)cc1
SPLASH splash10-0k9e-2910000000-00fec637d387f7f75650
Source of Spectrum F-48-859-4
Wiley ID 1353362