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(3S,8S,9S,10R,13R,14S,17R)-3-bromanyl-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

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

(3S,8S,9S,10R,13R,14S,17R)-3-bromanyl-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SpectraBase Compound ID KmSOWGpxTAT
InChI InChI=1S/C29H47Br/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey JSGDKFUCOFJRDW-PHZDYDNGSA-N
Mol Weight 475.6 g/mol
Molecular Formula C29H47Br
Exact Mass 474.286115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cFX2DbXP4G
Name (3S,8S,9S,10R,13R,14S,17R)-3-Bromanyl-17-[(E,2R,5S)-5-ethyl-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.286114513 u
Formula C29H47Br
InChI InChI=1S/C29H47Br/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey JSGDKFUCOFJRDW-PHZDYDNGSA-N
Molecular Weight 475.599 g/mol
SMILES [C@]1(CC[C@]2(C(C1)=CC[C@]1([C@@]3(CC[C@]([C@@](\C=C\[C@@](CC)(C(C)C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)(Br)[H]