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(13S,17S)-16-(5-hydroxypentyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol

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

(13S,17S)-16-(5-hydroxypentyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol
SpectraBase Compound ID 9LqInZ7lf2L
InChI InChI=1S/C24H36O3/c1-24-12-11-20-19-10-8-18(27-2)14-16(19)7-9-21(20)22(24)15-17(23(24)26)6-4-3-5-13-25/h8,10,14,17,20-23,25-26H,3-7,9,11-13,15H2,1-2H3/t17?,20?,21?,22?,23-,24-/m0/s1
InChIKey FQCKSPMXCUXTCD-NNPXQVHPSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5zLA5nHdHK5
Name (13S,17S)-16-(5-Hydroxypentyl)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-17-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.266445016 u
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-24-12-11-20-19-10-8-18(27-2)14-16(19)7-9-21(20)22(24)15-17(23(24)26)6-4-3-5-13-25/h8,10,14,17,20-23,25-26H,3-7,9,11-13,15H2,1-2H3/t17?,20?,21?,22?,23-,24-/m0/s1
InChIKey FQCKSPMXCUXTCD-NNPXQVHPSA-N
Molecular Weight 372.549 g/mol
SMILES [C@@]12(C(C3CCC4=C(C3CC2)C=CC(OC)=C4)CC([C@@]1(O)[H])CCCCCO)C