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24,24,26,26-Tetramethylcholesta-5,22(E),25(27)-trien-3.beta.-ol - Acetate

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24,24,26,26-Tetramethylcholesta-5,22(E),25(27)-trien-3.beta.-ol - Acetate
SpectraBase Compound ID 3Hzs6hrpDNE
InChI InChI=1S/C33H52O2/c1-21(2)23(4)31(6,7)17-14-22(3)28-12-13-29-27-11-10-25-20-26(35-24(5)34)15-18-32(25,8)30(27)16-19-33(28,29)9/h10,14,17,21-22,26-30H,4,11-13,15-16,18-20H2,1-3,5-9H3/b17-14+/t22-,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey PLTYJOPJTHWQOG-FVWUZASJSA-N
Mol Weight 480.8 g/mol
Molecular Formula C33H52O2
Exact Mass 480.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qypMzyJcnG
Name 24,24,26,26-Tetramethylcholesta-5,22(E),25(27)-trien-3.beta.-ol - Acetate
Alternate Name(s) (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R,3E)-5,5,7-trimethyl-6-methylideneoct-3-en-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-5-yl acetate Acetic acid[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5,5,7-trimethyl-6-methyleneoct-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester Acetic acid[(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,2E)-5-isopropyl-1,4,4-trimethyl-hexa-2,5-dienyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ester [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,1R)-1,4,4,6-tetramethyl-5-methylene-hept-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5,5,7-trimethyl-6-methylidene-oct-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]ethanoate [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5,5,7-trimethyl-6-methylideneoct-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate Acetic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5,5,7-trimethyl-6-methyleneoct-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5,5,7-trimethyl-6-methylideneoct-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,1R)-1,4,4,6-tetramethyl-5-methylene-hept-2-enyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5,5,7-trimethyl-6-methylidene-oct-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
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Formula C33H52O2
InChI InChI=1S/C33H52O2/c1-21(2)23(4)31(6,7)17-14-22(3)28-12-13-29-27-11-10-25-20-26(35-24(5)34)15-18-32(25,8)30(27)16-19-33(28,29)9/h10,14,17,21-22,26-30H,4,11-13,15-16,18-20H2,1-3,5-9H3/b17-14+/t22-,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey PLTYJOPJTHWQOG-FVWUZASJSA-N
Molecular Weight 480.777 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(CC[C@@]1([C@@](\C=C\C(C(=C)C(C)C)(C)C)(C)[H])[H])[H])C
SPLASH splash10-05gi-0090400000-1e1790038d6639d5cd81
Source of Spectrum X4-21-222-0
Wiley ID 1585829