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4-(((13S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-17-yl)oxy)-4-oxobutanoic acid, 2tms

View entire compound with spectra: 1 NMR

4-(((13S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-17-yl)oxy)-4-oxobutanoic acid, 2tms
SpectraBase Compound ID AUN7qwErmG1
InChI InChI=1S/C28H44O5Si2/c1-28-17-16-22-21-11-9-20(32-34(2,3)4)18-19(21)8-10-23(22)24(28)12-13-25(28)31-26(29)14-15-27(30)33-35(5,6)7/h9,11,18,22-25H,8,10,12-17H2,1-7H3/t22?,23?,24?,25?,28-/m0/s1
InChIKey HUCBPWFTRQHVLT-SWOKOJELSA-N
Mol Weight 516.8 g/mol
Molecular Formula C28H44O5Si2
Exact Mass 516.272728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaBTmYeaXXF
Name 4-(((13S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthren-17-yl)oxy)-4-oxobutanoic acid, 2tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 516.272727582 u
Formula C28H44O5Si2
InChI InChI=1S/C28H44O5Si2/c1-28-17-16-22-21-11-9-20(32-34(2,3)4)18-19(21)8-10-23(22)24(28)12-13-25(28)31-26(29)14-15-27(30)33-35(5,6)7/h9,11,18,22-25H,8,10,12-17H2,1-7H3/t22?,23?,24?,25?,28-/m0/s1
InChIKey HUCBPWFTRQHVLT-SWOKOJELSA-N
Molecular Weight 516.825 g/mol
SMILES C1(OC(=O)CCC(=O)O[Si](C)(C)C)[C@@]2(C(C3C(CC2)C2=C(C=C(C=C2)O[Si](C)(C)C)CC3)CC1)C