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

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

(3R,5S,8R,9S,10S,13S,14S,17R)-10,13-dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 8QtrwmF1wtC
InChI InChI=1S/C27H48O2/c1-18(2)6-5-7-19(17-28)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h18-25,28-29H,5-17H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey IHBYNELXVANGNE-WPAFHKMSSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 22cvb6Bwla6
Name (3R,5S,8R,9S,10S,13S,14S,17R)-10,13-Dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthren-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.365430784 u
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-18(2)6-5-7-19(17-28)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h18-25,28-29H,5-17H2,1-4H3/t19-,20-,21+,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey IHBYNELXVANGNE-WPAFHKMSSA-N
Molecular Weight 404.679 g/mol
SMILES [C@@]12([C@]([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@@](O)(C4)[H])C)[H])[H])(CC[C@@]1([C@](CO)(CCCC(C)C)[H])[H])[H])C