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Substance Name: SC 30822
RN: 61237-95-4
InChIKey: SQDXDCFKVDANPZ-WLOGYDPASA-N

Molecular Formula

  • C26-H36-O6

Molecular Weight

  • 444.5644
 
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Names and Synonyms

Name of Substance

  • SC 30822

Synonyms

  • 6,17-Dihydroxy-3-oxo-17-pregn-4-ene-21-carboxylic acid-gamma-lactone 7-methylethyl ester
  • SC-30822

Systematic Name

  • Pregn-4-ene-7,21-dicarboxylic acid, 6,17-dihydroxy-3-oxo-, gamma-lactone, 1-methylethyl ester, (6beta,7alpha,17alpha)-

Registry Numbers

CAS Registry Number

  • 61237-95-4

System Generated Number

  • 0061237954

Structure Descriptors

InChI

1S/C26H36O6/c1-14(2)31-23(30)21-20-16(24(3)9-5-15(27)13-18(24)22(21)29)6-10-25(4)17(20)7-11-26(25)12-8-19(28)32-26/h13-14,16-17,20-22,29H,5-12H2,1-4H3/t16-,17-,20+,21-,22-,24+,25-,26+/m0/s1

InChIKey

SQDXDCFKVDANPZ-WLOGYDPASA-N

Smiles

CC(C)OC(=O)[C@H]1[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]34CCC(=O)O4)C)[C@]5(CCC(=O)C=C5[C@@H]1O)C