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

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(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,5R)-6-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID D4ves2Zwxq4
InChI InChI=1S/C33H60O2Si/c1-23(22-35-36(8,9)31(3,4)5)11-10-12-24(2)28-15-16-29-27-14-13-25-21-26(34)17-19-32(25,6)30(27)18-20-33(28,29)7/h13,23-24,26-30,34H,10-12,14-22H2,1-9H3/t23-,24-,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey XYWHMUMZWRVAKB-IBLCNEPOSA-N
Mol Weight 516.9 g/mol
Molecular Formula C33H60O2Si
Exact Mass 516.436258 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID qXbBXJ4NFJ
Name (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,5R)-6-[Tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-3-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.436257705 u
Formula C33H60O2Si
InChI InChI=1S/C33H60O2Si/c1-23(22-35-36(8,9)31(3,4)5)11-10-12-24(2)28-15-16-29-27-14-13-25-21-26(34)17-19-32(25,6)30(27)18-20-33(28,29)7/h13,23-24,26-30,34H,10-12,14-22H2,1-9H3/t23-,24-,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey XYWHMUMZWRVAKB-IBLCNEPOSA-N
Molecular Weight 516.926 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O)(C4)[H])C)[H])(CC[C@@]1([C@@](CCC[C@](CO[Si](C(C)(C)C)(C)C)(C)[H])(C)[H])[H])[H])C