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Pregnan-1-ol, 3-(methylamino)-, (1.alpha.,3.alpha.,5.alpha.)-
SpectraBase Compound ID FaPH0kVbV5D
InChI InChI=1S/C22H39NO/c1-5-14-7-9-18-17-8-6-15-12-16(23-4)13-20(24)22(15,3)19(17)10-11-21(14,18)2/h14-20,23-24H,5-13H2,1-4H3/t14-,15?,16?,17-,18-,19-,20?,21+,22-/m0/s1
InChIKey TXJQKOPMQOPQCV-MFRNAJLHSA-N
Mol Weight 333.6 g/mol
Molecular Formula C22H39NO
Exact Mass 333.303165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ba2NYm0dWwy
Name Pregnan-1-ol, 3-(methylamino)-, (1.alpha.,3.alpha.,5.alpha.)-
CAS Registry Number 23925-82-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H39NO
InChI InChI=1S/C22H39NO/c1-5-14-7-9-18-17-8-6-15-12-16(23-4)13-20(24)22(15,3)19(17)10-11-21(14,18)2/h14-20,23-24H,5-13H2,1-4H3/t14-,15?,16?,17-,18-,19-,20?,21+,22-/m0/s1
InChIKey TXJQKOPMQOPQCV-MFRNAJLHSA-N
Molecular Weight 333.560 g/mol
SMILES OC1CC(CC2CC[C@@]3([C@@]([C@@]12C)(CC[C@@]1([C@](CC[C@@]31[H])(CC)[H])C)[H])[H])NC
SPLASH splash10-000i-9000000000-f3adb1e80804ee0ce594
Source of Spectrum F-25-3084-3
Synonyms Pregnan-1-ol, 3-(methylamino)-, (1.beta.,3.alpha.,5.alpha.)- 3-(methylamino)pregnan-1-ol 5.alpha.-pregnan-1.alpha.-ol, 3.alpha.-(methylamino)- 5.alpha.-Pregnan-1.beta.-ol, 3.alpha.-(methylamino)- Methyl 2,4-dihydroxy-5-(3'-methoxy-6'-methoxy-carbonyl-2',5'-dimethylphehydroxy-1.alpha.methylamino-3.alpha.(5.alpha.)pregnane Methyl 2,4-dihydroxy-5-(3'-methoxy-6'-methoxy-carbonyl-2',5'-dimethylphehydroxy-1.beta. methyamino-3.alpha.(5.alpha.)pregnane Pregnan-1-ol, 3-(methylamino)-, (1alpha,3alpha,5alpha)- Pregnan-1-ol, 3-(methylamino)-, (1beta,3alpha,5alpha)-
Wiley ID 1330435