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Substance Name: Calcifediol lactol
RN: 83136-06-5
InChIKey: SFOPTSUKUQDFIB-QZMKUVGVSA-N

Note

  • Biosynthetic precursor of calcifediol lactone.

Molecular Formula

  • C27-H42-O4

Molecular Weight

  • 430.6248
 
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Names and Synonyms

Name of Substance

  • Calcifediol lactol

Synonyms

  • (23S,25R)-25-Hydroxyvitamin D3 26,23-lactol
  • 25-Hydroxyvitamin D(3) 26,23-lactol

Systematic Name

  • 9,10-Secocholesta-5,7,10(19)-triene-3,25,26-triol, 23,26-epoxy-, (3beta,5Z,7E,23S,25R)-

Registry Numbers

CAS Registry Number

  • 83136-06-5

System Generated Number

  • 0083136065

Structure Descriptors

InChI

1S/C27H42O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-25,28-30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9-/t18-,21-,22?,23-,24+,25?,26-,27?/m1/s1

InChIKey

SFOPTSUKUQDFIB-QZMKUVGVSA-N

Smiles

C[C@H](CC1CC(C(O1)O)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@@H](CCC4=C)O)C