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(1R,2E,4S,5R,6S,7E,10S,11S,12R)-5,6,18-Triacetoxy-10-hydroxy-2,7-dolabelladiene

View entire compound with spectra: 1 MS (GC)

(1R,2E,4S,5R,6S,7E,10S,11S,12R)-5,6,18-Triacetoxy-10-hydroxy-2,7-dolabelladiene
SpectraBase Compound ID AB0kRUcDLGj
InChI InChI=1S/C26H40O7/c1-15-13-21(30)23-20(25(6,7)33-19(5)29)10-12-26(23,8)11-9-16(2)24(32-18(4)28)22(14-15)31-17(3)27/h9,11,14,16,20-24,30H,10,12-13H2,1-8H3/b11-9+,15-14+/t16-,20+,21-,22-,23+,24+,26-/m0/s1
InChIKey RRUVFTNSKBGGIY-SWMPTWAGSA-N
Mol Weight 464.6 g/mol
Molecular Formula C26H40O7
Exact Mass 464.277404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KjE8QhwRt8k
Name (1R,2E,4S,5R,6S,7E,10S,11S,12R)-5,6,18-Triacetoxy-10-hydroxy-2,7-dolabelladiene
Alternate Name(s) (1R,3aR,6S,7R,8S,12S,12aS)-8-(acetyloxy)-1-[1-(acetyloxy)-1-methylethyl]-12-hydroxy-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,8S,9R,10S,11E,12aR)-9-acetoxy-3-(1-acetoxy-1-methyl-ethyl)-4-hydroxy-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopentacycloundecen-8-yl]ester Acetic acid[(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-9-acetyloxy-3-(2-acetyloxypropan-2-yl)-4-hydroxy-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-8-yl]ester [(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-9-acetoxy-3-(1-acetoxy-1-methyl-ethyl)-4-hydroxy-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-8-yl]acetate [(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-9-acetyloxy-3-(2-acetyloxypropan-2-yl)-4-hydroxy-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-8-yl]acetate [(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-9-acetyloxy-3-(2-acetyloxypropan-2-yl)-6,10,12a-trimethyl-4-oxidanyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-8-yl]ethanoate Acetic acid [(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-9-acetyloxy-3-(2-acetyloxypropan-2-yl)-4-hydroxy-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-8-yl] ester [(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-9-acetyloxy-3-(2-acetyloxypropan-2-yl)-4-hydroxy-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-8-yl] acetate [(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-9-acetoxy-3-(1-acetoxy-1-methyl-ethyl)-4-hydroxy-6,10,12a-trimethyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-8-yl] acetate [(3R,3aS,4S,6E,8S,9R,10S,11E,12aR)-9-acetyloxy-3-(2-acetyloxypropan-2-yl)-6,10,12a-trimethyl-4-oxidanyl-2,3,3a,4,5,8,9,10-octahydro-1H-cyclopenta[11]annulen-8-yl] ethanoate
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Formula C26H40O7
InChI InChI=1S/C26H40O7/c1-15-13-21(30)23-20(25(6,7)33-19(5)29)10-12-26(23,8)11-9-16(2)24(32-18(4)28)22(14-15)31-17(3)27/h9,11,14,16,20-24,30H,10,12-13H2,1-8H3/b11-9+,15-14+/t16-,20+,21-,22-,23+,24+,26-/m0/s1
InChIKey RRUVFTNSKBGGIY-SWMPTWAGSA-N
Molecular Weight 464.599 g/mol
SMILES O[C@@]1([C@]2([C@](C(OC(=O)C)(C)C)(CC[C@@]2(\C=C\[C@@]([C@]([C@](\C=C\(C1)C)(OC(=O)C)[H])(OC(=O)C)[H])(C)[H])C)[H])[H])[H]
SPLASH splash10-052s-8931000000-0f4a1fe586a2f1c576bd
Source of Spectrum F-53-8685-1
Wiley ID 802775