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3,5-Cyclopregnan-6-one, 20-methyl-, (3.beta.,5.alpha.)-
SpectraBase Compound ID AswIrCCJNaP
InChI InChI=1S/C22H34O/c1-13(2)16-5-6-17-15-11-19(23)22-12-14(22)7-10-21(22,4)18(15)8-9-20(16,17)3/h13-18H,5-12H2,1-4H3/t14-,15-,16+,17-,18-,20+,21+,22?/m0/s1
InChIKey VETJRGDIBMMHGZ-JPFIMZGLSA-N
Mol Weight 314.5 g/mol
Molecular Formula C22H34O
Exact Mass 314.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DBp1TZWD8xN
Name 3,5-Cyclopregnan-6-one, 20-methyl-, (3.beta.,5.alpha.)-
CAS Registry Number 71057-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O
InChI InChI=1S/C22H34O/c1-13(2)16-5-6-17-15-11-19(23)22-12-14(22)7-10-21(22,4)18(15)8-9-20(16,17)3/h13-18H,5-12H2,1-4H3/t14-,15-,16+,17-,18-,20+,21+,22?/m0/s1
InChIKey VETJRGDIBMMHGZ-JPFIMZGLSA-N
Molecular Weight 314.513 g/mol
SMILES C123[C@@]([C@]4(CC[C@]5([C@]([C@@]4(CC3=O)[H])(CC[C@@]5(C(C)C)[H])[H])C)[H])(CC[C@]1(C2)[H])C
SPLASH splash10-03di-0059000000-efa1978ff2711a852c7a
Source of Spectrum K-112-1611-0
Synonyms Cyclopenta[a]cyclopropa[2,3]cyclopenta[1,2-f]naphthalene, 3,5-cyclopregnan-6-one deriv. (1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-(propan-2-yl)pentacyclo[8.7.0.0(2,7).0(5,7).0(11,15)]heptadecan-8-one 20-Methyl-3.alpha.,5-cyclo-pregnan-6-one
Wiley ID 1315695