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(3S,9S,10R,13R,14R,17R)-17-[(1R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

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

(3S,9S,10R,13R,14R,17R)-17-[(1R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID BwmJlrYptoC
InChI InChI=1S/C29H48O/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/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3/t20-,21?,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey ARVGMISWLZPBCH-ZZBMXXMNSA-N
Mol Weight 412.7 g/mol
Molecular Formula C29H48O
Exact Mass 412.370516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BfuDCEGzdV7
Name (3S,9S,10R,13R,14R,17R)-17-[(1R)-4-Ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[A]phenanthren-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.370516165 u
Formula C29H48O
InChI InChI=1S/C29H48O/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/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3/t20-,21?,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey ARVGMISWLZPBCH-ZZBMXXMNSA-N
Molecular Weight 412.702 g/mol
SMILES C=12[C@]3([C@]([C@@]([C@@](CCC(C(C)C)CC)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@@](CC2=CC1)(O)[H])C)[H])[H]