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Substance Name: Vitamin D1
RN: 520-91-2
InChIKey: UOELMDIOCSFSEN-RNYWDARWSA-N

Molecular Formula

  • C28-H44-O.C28-H44-O

Molecular Weight

  • 793.3092
 
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Names and Synonyms

Name of Substance

  • Vitamin D1

Synonym

  • Vitamin D1

Systematic Name

  • Ergosta-5,7,22-trien-3-ol, (3beta,9beta,10alpha,22E)-, compd. with (3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol (1:1)

Registry Numbers

CAS Registry Number

  • 520-91-2

Other Registry Numbers

  • 11048-08-1
  • 53776-52-6

System Generated Number

  • 0000520912

Molecular Formulas

Molecular Formula

  • C28-H44-O.C28-H44-O

Molecular Formula Fragments

  • C28-H44-O
  • COMPONENT

Structure Descriptors

InChI

1S/2C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6;1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3;9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b8-7+;10-9+,23-12+,24-13-/t19-,20+,22-,24+,25-,26+,27+,28+;20-,22+,25+,26+,27-,28+/m00/s1

InChIKey

UOELMDIOCSFSEN-RNYWDARWSA-N

Smiles

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C.C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3C2=CC=C4[C@]3(CC[C@@H](C4)O)C)C