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(3S,5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(3S,5R,9R,10S,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID KKUUDAb4sPS
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-21,23,25,28H,6-8,11-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
InChIKey RDCARRZDUKGQRZ-NFTYELEKSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JlXC1lBHe0Q
Name (3S,5R,9R,10S,13R,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-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 384.339216036 u
Formula C27H44O
InChI InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-21,23,25,28H,6-8,11-17H2,1-5H3/t19-,20+,21+,23-,25+,26+,27-/m1/s1
InChIKey RDCARRZDUKGQRZ-NFTYELEKSA-N
Molecular Weight 384.648 g/mol
SMILES C12=C3[C@]([C@]4(CC[C@@](C[C@@]4(C=C3)[H])(O)[H])C)([H])CC[C@@]2([C@@]([C@@](CCCC(C)C)(C)[H])(CC1)[H])C