41238-98-6
11-ALPHA-HYDROXY-4-PREGNENE-3,20-DIONE 11-HEMISUCCINATE
Name11-ALPHA-HYDROXY-4-PREGNENE-3,20-DIONE 11-HEMISUCCINATE
1Identification
【Name】
11-ALPHA-HYDROXY-4-PREGNENE-3,20-DIONE 11-HEMISUCCINATE
【CAS】
【MDL】
MFCD00056475
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H34 O6
【pro_molWeight】
430.538
【Inchi】
InChI=1S/C25H34O6/c1-14(26)18-6-7-19-17-5-4-15-12-16(27)10-11-24(15,2)23(17)20(13-25(18,19)3)31-22(30)9-8-21(28)29/h12,17-20,23H,4-11,13H2,1-3H3,(H,28,29)/t17-,18+,19-,20+,23+,24-,25+/m0/s1
【InChIKey】
InChIKey=JBBNFGYRYNBDIH-DBGGZKJISA-N
【SMILES】
CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)O)C
【MOL File】
11-ALPHA-HYDROXY-4-P….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
11-ALPHA-HYDROXY-4-PREGNENE-3,20-DIONE 11-HEMISUCCINATE.cml