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Substance Name: 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate
RN: 118201-17-5
InChIKey: XKNHSIXSQAVVRC-ILYJYDSDSA-N

Molecular Weight

  • 481.0253
 
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Names and Synonyms

Name of Substance

  • 5-Chloro-16-methylene-3,6,17-trihydroxypregnan-20-one-3,17-diacetate

Synonyms

  • 5-CMTPD
  • 5alpha-Chloro-16-methylene-3beta,6beta,17alpha-trihydroxypregnan-20-one-3,17-diacetate

Registry Numbers

CAS Registry Number

  • 118201-17-5

System Generated Number

  • 0118201175

Structure Descriptors

InChI

1S/C26H37ClO6/c1-14-11-21-19-12-22(31)25(27)13-18(32-16(3)29)7-9-23(25,5)20(19)8-10-24(21,6)26(14,15(2)28)33-17(4)30/h18-22,31H,1,7-13H2,2-6H3/t18-,19+,20-,21-,22+,23+,24-,25-,26-/m0/s1

InChIKey

XKNHSIXSQAVVRC-ILYJYDSDSA-N

Smiles

CC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)C)C)Cl)O)C)OC(=O)C