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

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

(3S,10R,13R)-10,13-dimethyl-17-((S)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl methyl phosphonate
SpectraBase Compound ID AdzkTfNg9X1
InChI InChI=1S/C28H49O3P/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(31-32(29)30-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26,32H,7-9,11-18H2,1-6H3/t20-,22-,23?,24?,25?,26?,27-,28+/m0/s1
InChIKey IYBSOJMZSWNLOE-PSCQLYGGSA-N
Mol Weight 464.7 g/mol
Molecular Formula C28H49O3P
Exact Mass 464.341932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMDe6vnVAxM
Name (3S,10R,13R)-10,13-Dimethyl-17-((S)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthren-3-yl methyl phosphonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.341932433 u
Formula C28H49O3P
InChI InChI=1S/C28H49O3P/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(31-32(29)30-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26,32H,7-9,11-18H2,1-6H3/t20-,22-,23?,24?,25?,26?,27-,28+/m0/s1
InChIKey IYBSOJMZSWNLOE-PSCQLYGGSA-N
Molecular Weight 464.671 g/mol
SMILES C1[C@](OP(OC)=O)(CC2=CCC3C([C@]2(C1)C)CC[C@@]1(C(CCC31)[C@](CCCC(C)C)(C)[H])C)[H]