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4-Octanone, 7-[(3.beta.,17.beta.)-4-hydroxyandrost-5-en-17-yl]-2-methyl-, (R)-
SpectraBase Compound ID CkkZjDWBje7
InChI InChI=1S/C28H46O2/c1-18(2)16-21(29)8-6-19(3)24-10-11-25-23-9-7-20-17-22(30)12-14-27(20,4)26(23)13-15-28(24,25)5/h7,18-19,22-26,30H,6,8-17H2,1-5H3/t19-,22?,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey XYZDXSWSZCHCBH-NBQUBWAJSA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65D2Ir0diy4
Name 4-Octanone, 7-[(3.beta.,17.beta.)-4-hydroxyandrost-5-en-17-yl]-2-methyl-, (R)-
Alternate Name(s) (7R)-7-[(1S,2R,10S,11S,14R,15R)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]-2-methyloctan-4-one 24-oxo-24-homocholesterol Androstane, 4-octanone deriv.
CAS Registry Number 83511-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-18(2)16-21(29)8-6-19(3)24-10-11-25-23-9-7-20-17-22(30)12-14-27(20,4)26(23)13-15-28(24,25)5/h7,18-19,22-26,30H,6,8-17H2,1-5H3/t19-,22?,23+,24-,25+,26+,27+,28-/m1/s1
InChIKey XYZDXSWSZCHCBH-NBQUBWAJSA-N
Molecular Weight 414.674 g/mol
SMILES OC1CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC(=O)CC(C)C)(C)[H])[H])[H])C)[H])C
SPLASH splash10-08fs-4019500000-a0f835e21ec3de53ea21
Source of Spectrum C-104-6732-0
Wiley ID 1375743