11ß,17,21-trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate
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Product Description
Product
11ß,17,21-trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate
CAS
94135-36-1
Formula
C31H36O8
Typical Product Specifications
Molecular weight
536.61
EINECS
302-905-9
SMILES
[C@@]12(C(=CC(=O)C=C2)[C@H](C[C@@H]2[C@@H]1[C@H](C[C@@]1([C@@](C(=O)COC(=O)c3c(OC(=O)C)cccc3)(CC[C@@H]21)O)C)O)C)C
InChI
YOFQBOKKLYIOGE-NOQXCBQUSA-N
InChIKey
1S/C31H36O8/c1-17-13-21-22-10-12-31(37,26(35)16-38-28(36)20-7-5-6-8-25(20)39-18(2)32)30(22,4)15-24(34)27(21)29(3)11-9-19(33)14-23(17)29/h5-9,11,14,17,21-22,24,27,34,37H,10,12-13,15-16H2,1-4H3/t17-,21-,22-,24-,27+,29-,30-,31-/m0/s1
Class
11ß,17,21-trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate
Product Description
Product
11ß,17,21-trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-acetylsalicylate
CAS
94135-36-1
Formula
C31H36O8
Typical Product Specifications
Molecular weight
536.61
EINECS
302-905-9
SMILES
[C@@]12(C(=CC(=O)C=C2)[C@H](C[C@@H]2[C@@H]1[C@H](C[C@@]1([C@@](C(=O)COC(=O)c3c(OC(=O)C)cccc3)(CC[C@@H]21)O)C)O)C)C
InChI
YOFQBOKKLYIOGE-NOQXCBQUSA-N
InChIKey
1S/C31H36O8/c1-17-13-21-22-10-12-31(37,26(35)16-38-28(36)20-7-5-6-8-25(20)39-18(2)32)30(22,4)15-24(34)27(21)29(3)11-9-19(33)14-23(17)29/h5-9,11,14,17,21-22,24,27,34,37H,10,12-13,15-16H2,1-4H3/t17-,21-,22-,24-,27+,29-,30-,31-/m0/s1
Class
