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(1R*,3E,5S*,7E,11R*,12R*)-5-Acetoxy-12-hydroxydolabella-3,7-dien-9-one

View entire compound with spectra: 1 MS (GC)

(1R*,3E,5S*,7E,11R*,12R*)-5-Acetoxy-12-hydroxydolabella-3,7-dien-9-one
SpectraBase Compound ID GweyfmvavmX
InChI InChI=1S/C22H34O4/c1-14(2)22(25)12-11-21(6)10-9-16(4)19(26-17(5)23)8-7-15(3)18(24)13-20(21)22/h7,9,14,19-20,25H,8,10-13H2,1-6H3/b15-7+,16-9+/t19-,20+,21-,22+/m0/s1
InChIKey LLFWQKZULMFCLD-WHUHNQARSA-N
Mol Weight 362.5 g/mol
Molecular Formula C22H34O4
Exact Mass 362.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RW3uIPzpbF
Name (1R*,3E,5S*,7E,11R*,12R*)-5-Acetoxy-12-hydroxydolabella-3,7-dien-9-one
Alternate Name(s) (1R,3aR,7S,12aR)-1-hydroxy-1-isopropyl-3a,6,10-trimethyl-11-oxo-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[a]cycloundecen-7-yl acetate Acetic acid[(3R,3aR,6E,9S,10E,12aR)-3-hydroxy-3-isopropyl-5-keto-6,10,12a-trimethyl-2,3a,4,8,9,12-hexahydro-1H-cyclopentacycloundecen-9-yl]ester Acetic acid[(3R,3aR,6E,9S,10E,12aR)-3-hydroxy-6,10,12a-trimethyl-5-oxo-3-propan-2-yl-2,3a,4,8,9,12-hexahydro-1H-cyclopenta[11]annulen-9-yl]ester [(3R,3aR,6E,9S,10E,12aR)-3-hydroxy-3-isopropyl-6,10,12a-trimethyl-5-oxo-2,3a,4,8,9,12-hexahydro-1H-cyclopenta[11]annulen-9-yl]acetate [(3R,3aR,6E,9S,10E,12aR)-3-hydroxy-6,10,12a-trimethyl-5-oxo-3-propan-2-yl-2,3a,4,8,9,12-hexahydro-1H-cyclopenta[11]annulen-9-yl]acetate [(3R,3aR,6E,9S,10E,12aR)-6,10,12a-trimethyl-3-oxidanyl-5-oxidanylidene-3-propan-2-yl-2,3a,4,8,9,12-hexahydro-1H-cyclopenta[11]annulen-9-yl]ethanoate Acetic acid [(3R,3aR,6E,9S,10E,12aR)-3-hydroxy-6,10,12a-trimethyl-5-oxo-3-propan-2-yl-2,3a,4,8,9,12-hexahydro-1H-cyclopenta[11]annulen-9-yl] ester [(3R,3aR,6E,9S,10E,12aR)-3-hydroxy-6,10,12a-trimethyl-5-oxo-3-propan-2-yl-2,3a,4,8,9,12-hexahydro-1H-cyclopenta[11]annulen-9-yl] acetate [(3R,3aR,6E,9S,10E,12aR)-3-hydroxy-3-isopropyl-6,10,12a-trimethyl-5-oxo-2,3a,4,8,9,12-hexahydro-1H-cyclopenta[11]annulen-9-yl] acetate [(3R,3aR,6E,9S,10E,12aR)-6,10,12a-trimethyl-3-oxidanyl-5-oxidanylidene-3-propan-2-yl-2,3a,4,8,9,12-hexahydro-1H-cyclopenta[11]annulen-9-yl] ethanoate
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Formula C22H34O4
InChI InChI=1S/C22H34O4/c1-14(2)22(25)12-11-21(6)10-9-16(4)19(26-17(5)23)8-7-15(3)18(24)13-20(21)22/h7,9,14,19-20,25H,8,10-13H2,1-6H3/b15-7+,16-9+/t19-,20+,21-,22+/m0/s1
InChIKey LLFWQKZULMFCLD-WHUHNQARSA-N
Molecular Weight 362.510 g/mol
SMILES O[C@@]1([C@@]2(CC(\C(=C\C[C@@](\C(=C\C[C@]2(CC1)C)C)(OC(=O)C)[H])C)=O)[H])C(C)C
SPLASH splash10-0a4i-0191000000-f567cc0e2d90a937b5d0
Source of Spectrum F-50-8018-2
Wiley ID 1349877