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D-Homopregna-1,4-diene-3,20-dione, 12,15-dihydroxy-, (12.beta.,15.alpha.)-
SpectraBase Compound ID 9gRUCR7fpZr
InChI InChI=1S/C22H30O4/c1-12(23)13-8-18(25)20-16-5-4-14-9-15(24)6-7-21(14,2)17(16)10-19(26)22(20,3)11-13/h6-7,9,13,16-20,25-26H,4-5,8,10-11H2,1-3H3/t13?,16?,17?,18-,19+,20?,21?,22?/m0/s1
InChIKey PCKPIDIOTQOBGL-OOWMTCDASA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HDYKqRUC0CE
Name D-Homopregna-1,4-diene-3,20-dione, 12,15-dihydroxy-, (12.beta.,15.alpha.)-
CAS Registry Number 72921-14-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-12(23)13-8-18(25)20-16-5-4-14-9-15(24)6-7-21(14,2)17(16)10-19(26)22(20,3)11-13/h6-7,9,13,16-20,25-26H,4-5,8,10-11H2,1-3H3/t13?,16?,17?,18-,19+,20?,21?,22?/m0/s1
InChIKey PCKPIDIOTQOBGL-OOWMTCDASA-N
Molecular Weight 358.478 g/mol
SMILES O[C@]1(C2(C([C@](CC(C2)C(=O)C)(O)[H])C2CCC=3C(C2C1)(C=CC(C3)=O)C)C)[H]
SPLASH splash10-00di-2945000000-58c6edef8a08cb95e2c8
Source of Spectrum K-113-217-0
Synonyms (6R,10S)-8-acetyl-6,10-dihydroxy-4a,6a-dimethyl-4b,5,6,6a,7,8,9,10,10a,10b,11,12-dodecahydro-2(4aH)-chrysenone 12.beta.,15.alpha.-dihydroxy-D-homo-1,4-pregnadien-3,20-dione
Wiley ID 1347302