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(1R,4aR,6S,8aS)-6-hydroxy-1-[2-[(1R,5R)-2-keto-1-methyl-5-[(1R,4R)-1,4,5-trimethylhexyl]cyclopentyl]ethyl]-8a-methyl-5-methylene-decalin-2-one
SpectraBase Compound ID CvzMQuibwII
InChI InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)22-11-13-27(32)29(22,7)16-14-24-26(31)12-10-23-21(5)25(30)15-17-28(23,24)6/h18-20,22-25,30H,5,8-17H2,1-4,6-7H3/t19-,20-,22-,23+,24+,25+,28+,29-/m1/s1
InChIKey OAXZFWYEXPJYGH-OSZKIZGISA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwSKIAv0BPj
Name (1R,4aR,6S,8aS)-6-hydroxy-1-[2-[(1R,5R)-2-keto-1-methyl-5-[(1R,4R)-1,4,5-trimethylhexyl]cyclopentyl]ethyl]-8a-methyl-5-methylene-decalin-2-one
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-18(2)19(3)8-9-20(4)22-11-13-27(32)29(22,7)16-14-24-26(31)12-10-23-21(5)25(30)15-17-28(23,24)6/h18-20,22-25,30H,5,8-17H2,1-4,6-7H3/t19-,20-,22-,23+,24+,25+,28+,29-/m1/s1
InChIKey OAXZFWYEXPJYGH-OSZKIZGISA-N
Literature Reference Author Y.SUGO,Y.INOUYE,N.NAKAYAMA
Literature Reference Citation STEROIDS,60,738(1995)
Literature Reference DOI 10.1016/0039-128x(95)00108-3
Molecular Weight 444.698 g/mol
Source File Reference UWLU73907