NCS
中国新化学物质查询
异体-3Α-四氢皮质醇-d6(主要)(ALLOTETRAHYDROCORTISOL)
KENDALL'S COMPOUND 'C', Allotetrahydrocortisol, ALLO THF, 5a-Tetrahydrocortisol, REICHSTEIN'S SUBSTANCE 'C', KENDALL'S COMPUND ''C''
CAS号: 302-91-0
IUPAC名称: 2-hydroxy-1-[(3R,5S,8S,9S,10S,11S,13S,14S,17R)-3,11,17-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
分子式: C21H34O5
分子量: 366.49200
InChI: InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18+,19-,20-,21-/m0/s1
InChIKey: AODPIQQILQLWGS-FDSHTENPSA-N
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O)O
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