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Substance Name: 25-Dehydro-1,25-dihydroxy-26-methylvitamin D3
RN: 123000-44-2
InChIKey: RQYBOLUOBVMUJB-XQIUTWOCSA-N

Molecular Formula

  • C28-H44-O3

Molecular Weight

  • 428.653
 
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Names and Synonyms

Name of Substance

  • 25-Dehydro-1,25-dihydroxy-26-methylvitamin D3

Synonyms

  • (22E,25R)-22-Dehydro-1alpha,25-dihydroxy-26-methylvitamin D3
  • (22E,25S)-22-Dehydro-1alpha,25-dihydroxy-26-methylvitamin D3
  • DDMVD

Systematic Name

  • 27-Nor-9,10-secocholesta-5,7,10(19),22-tetraene-1,3,25-triol, 25-ethyl-, (1alpha,3beta,5Z,7E,22E,25S)-

Registry Numbers

CAS Registry Number

  • 123000-44-2

System Generated Number

  • 0123000442

Structure Descriptors

InChI

1S/C28H44O3/c1-6-27(4,31)15-7-9-19(2)24-13-14-25-21(10-8-16-28(24,25)5)11-12-22-17-23(29)18-26(30)20(22)3/h7,9,11-12,19,23-26,29-31H,3,6,8,10,13-18H2,1-2,4-5H3/b9-7+,21-11+,22-12-/t19-,23+,24?,25+,26-,27+,28-/m1/s1

InChIKey

RQYBOLUOBVMUJB-XQIUTWOCSA-N

Smiles

C1[C@H](C\C(=C\C=C2\[C@@H]3CC[C@@H]([C@@H](\C=C\C[C@@](C)(O)CC)C)[C@@]3(C)CCC2)C([C@@H]1O)=C)O