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[(8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

[(8R,9S,10S,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SpectraBase Compound ID 9AD1a2SRsbc
InChI InChI=1S/C23H38O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,24H,5-13H2,1-4H3/t14-,16?,17?,18+,19-,20+,21+,22+,23-/m1/s1
InChIKey RDRFJIOUMNDZPW-VABUQVEQSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6jhTj8Vlh8g
Name [(8R,9S,10S,13S,14S,17S)-17-[(1R)-1-Hydroxyethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthren-3-yl] acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.282095081 u
Formula C23H38O3
InChI InChI=1S/C23H38O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h14,16-21,24H,5-13H2,1-4H3/t14-,16?,17?,18+,19-,20+,21+,22+,23-/m1/s1
InChIKey RDRFJIOUMNDZPW-VABUQVEQSA-N
Molecular Weight 362.554 g/mol
SMILES C1C[C@]2(C(CC1OC(C)=O)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@@](C)(O)[H])[H])[H])C)[H])[H])C