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13-OXOTOTARA-8(14),11-DIEN-9-ALPHA-YL-TRIFLUOROACETATE

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13-OXOTOTARA-8(14),11-DIEN-9-ALPHA-YL-TRIFLUOROACETATE
SpectraBase Compound ID 5bY8BrkFyV2
InChI InChI=1S/C22H29F3O3/c1-13(2)17-14-7-8-16-19(3,4)10-6-11-20(16,5)21(14,12-9-15(17)26)28-18(27)22(23,24)25/h9,12-13,16H,6-8,10-11H2,1-5H3/t16-,20-,21+/m0/s1
InChIKey JUQHGZDYCTYDKZ-ORYQWCPZSA-N
Mol Weight 398.47 g/mol
Molecular Formula C22H29F3O3
Exact Mass 398.206879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrNuGv7XeL2
Name Acetic acid, trifluoro-, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-oxo-4a(2H)-phenanthrenyl ester, [4aS-(4a.alpha.,4b.beta.,8a.alpha.)]-
CAS Registry Number 129456-87-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29F3O3
InChI InChI=1S/C22H29F3O3/c1-13(2)17-14-7-8-16-19(3,4)10-6-11-20(16,5)21(14,12-9-15(17)26)28-18(27)22(23,24)25/h9,12-13,16H,6-8,10-11H2,1-5H3/t16-,20-,21+/m0/s1
InChIKey JUQHGZDYCTYDKZ-ORYQWCPZSA-N
Molecular Weight 398.466 g/mol
SMILES [C@@]12(C(=C(C(C)C)C(C=C2)=O)CC[C@@]2([C@@]1(CCCC2(C)C)C)[H])OC(C(F)(F)F)=O
SPLASH splash10-0006-9177000000-a2621783ddccb3fd5a6f
Source of Spectrum B-43-692-25
Synonyms 13-Oxototara-8(14),11-dien-14-yl trifluoroacetate 13-Oxototara-8(14),11-dien-9.alpha.-yl trifluoroacetate 14-isopropyl-13-oxopodocarpa-8(14),11-dien-9-yl trifluoroacetate 2,2,2-trifluoroacetic acid[(4aS,4bS,8aS)-1-isopropyl-2-keto-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-4a-yl]ester 2,2,2-trifluoroacetic acid[(4aS,4bS,8aS)-4b,8,8-trimethyl-2-oxo-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-4a-yl]ester [(4aS,4bS,8aS)-1-isopropyl-4b,8,8-trimethyl-2-oxo-5,6,7,8a,9,10-hexahydrophenanthren-4a-yl]2,2,2-trifluoroacetate [(4aS,4bS,8aS)-4b,8,8-trimethyl-2-oxidanylidene-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-4a-yl]2,2,2-tris(fluoranyl)ethanoate [(4aS,4bS,8aS)-4b,8,8-trimethyl-2-oxo-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-4a-yl]2,2,2-trifluoroacetate 2,2,2-trifluoroacetic acid [(4aS,4bS,8aS)-4b,8,8-trimethyl-2-oxo-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-4a-yl] ester [(4aS,4bS,8aS)-4b,8,8-trimethyl-2-oxo-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-4a-yl] 2,2,2-trifluoroacetate [(4aS,4bS,8aS)-1-isopropyl-4b,8,8-trimethyl-2-oxo-5,6,7,8a,9,10-hexahydrophenanthren-4a-yl] 2,2,2-trifluoroacetate [(4aS,4bS,8aS)-4b,8,8-trimethyl-2-oxidanylidene-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-4a-yl] 2,2,2-tris(fluoranyl)ethanoate
Wiley ID 1368438