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17-Acetyl-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-3-yl 2,2,2-trifluoroacetate

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17-Acetyl-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-3-yl 2,2,2-trifluoroacetate
SpectraBase Compound ID Et0iTaJu1PN
InChI InChI=1S/C23H29F3O3/c1-13(27)17-6-7-18-16-5-4-14-12-15(29-20(28)23(24,25)26)8-10-21(14,2)19(16)9-11-22(17,18)3/h4,12,16-19H,5-11H2,1-3H3
InChIKey BGRZNVOTPSRDKK-UHFFFAOYSA-N
Mol Weight 410.48 g/mol
Molecular Formula C23H29F3O3
Exact Mass 410.206879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 51tH2E3gToe
Name 17-Acetyl-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-3-yl 2,2,2-trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.206879280 u
Formula C23H29F3O3
InChI InChI=1S/C23H29F3O3/c1-13(27)17-6-7-18-16-5-4-14-12-15(29-20(28)23(24,25)26)8-10-21(14,2)19(16)9-11-22(17,18)3/h4,12,16-19H,5-11H2,1-3H3
InChIKey BGRZNVOTPSRDKK-UHFFFAOYSA-N
Molecular Weight 410.477 g/mol
SMILES C1(=CC=2C(CC1)(C1C(CC2)C2C(CC1)(C(C(C)=O)CC2)C)C)OC(C(F)(F)F)=O