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Substance Name: 11-alpha,17-alpha,21-Trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulphonate)
RN: 7645-58-1
InChIKey: BAOPJFFGWAXPHH-ROZYOPKOSA-N

Molecular Formula

  • C31-H42-O8-S

Molecular Weight

  • 574.731
 
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Names and Synonyms

Synonym

  • EINECS 231-585-2

Systematic Name

  • 11-alpha,17-alpha,21-Trihydroxy-16-alpha-methyl-5-alpha-pregnane-3,20-dione 21-acetate-11-(toluene-4-sulphonate)

Registry Numbers

CAS Registry Number

  • 7645-58-1

System Generated Number

  • 0007645581

Structure Descriptors

InChI

1S/C31H42O8S/c1-18-6-9-23(10-7-18)40(36,37)39-26-16-30(5)25(14-19(2)31(30,35)27(34)17-38-20(3)32)24-11-8-21-15-22(33)12-13-29(21,4)28(24)26/h6-7,9-10,19,21,24-26,28,35H,8,11-17H2,1-5H3/t19-,21+,24+,25+,26-,28-,29+,30+,31+/m1/s1

InChIKey

BAOPJFFGWAXPHH-ROZYOPKOSA-N

Smiles

S(c1ccc(cc1)C)(=O)(=O)O[C@H]1[C@@H]2[C@@]3([C@H](CC(=O)CC3)CC[C@H]2[C@@H]2C[C@H]([C@@](C(COC(=O)C)=O)(O)[C@@]2(C1)C)C)C