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(1R,2E,4R,5R,7E,10S,11S,12R)-5-Acetoxy-10,18-dihydroxy-2,7-dolabelladiene
SpectraBase Compound ID 6icCsEU0l9Z
InChI InChI=1S/C22H36O4/c1-14-7-8-19(26-16(3)23)15(2)9-11-22(6)12-10-17(21(4,5)25)20(22)18(24)13-14/h7,9,11,15,17-20,24-25H,8,10,12-13H2,1-6H3/b11-9+,14-7+/t15-,17+,18-,19+,20+,22-/m0/s1
InChIKey LDLGSJAYMQJUJA-NTKXMHDRSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2RmGQXlklMY
Name (1R,2E,4R,5R,7E,10S,11S,12R)-5-Acetoxy-10,18-dihydroxy-2,7-dolabelladiene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-14-7-8-19(26-16(3)23)15(2)9-11-22(6)12-10-17(21(4,5)25)20(22)18(24)13-14/h7,9,11,15,17-20,24-25H,8,10,12-13H2,1-6H3/b11-9+,14-7+/t15-,17+,18-,19+,20+,22-/m0/s1
InChIKey LDLGSJAYMQJUJA-NTKXMHDRSA-N
Molecular Weight 364.526 g/mol
SMILES O[C@]1(C\C(=C\C[C@]([C@](\C=C\[C@@]2([C@@]1([C@](C(O)(C)C)(CC2)[H])[H])C)(C)[H])(OC(=O)C)[H])C)[H]
SPLASH splash10-0awi-5910000000-f401244242426b8fc105
Source of Spectrum F-53-8685-3
Synonyms (1R,3aR,6S,7R,12S,12aS)-12-hydroxy-1-(1-hydroxy-1-methylethyl)-3a,6,10-trimethyl-1,2,3,3a,6,7,8,11,12,12a-decahydrocyclopenta[a]cycloundecen-7-yl acetate Acetic acid [(3R,3aS,4S,6E,9R,10S,11E,12aR)-4-hydroxy-3-(2-hydroxypropan-2-yl)-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-9-yl] ester [(3R,3aS,4S,6E,9R,10S,11E,12aR)-4-hydroxy-3-(2-hydroxypropan-2-yl)-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-9-yl] acetate [(3R,3aS,4S,6E,9R,10S,11E,12aR)-4-hydroxy-3-(1-hydroxy-1-methyl-ethyl)-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-9-yl] acetate [(3R,3aS,4S,6E,9R,10S,11E,12aR)-6,10,12a-trimethyl-4-oxidanyl-3-(2-oxidanylpropan-2-yl)-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-9-yl] ethanoate
Wiley ID 802773