pre-vitamin D3

pre-vitamin D<sub>3</sub>




Chemical Formula:
C27H44O
Molecular Weight:
384.644 Daltons
Monoisotopic Mass:
384.3392160345 Daltons
SMILES:
CC(C)CCCC(C)[CH]1(C2(C)([CH](CC1)C(=CCC2)C=CC3(CC(O)CCC(C)=3)))
InChI:
1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h10,12-13,19,21,24-26,28H,6-9,11,14-18H2,1-5H3/b13-12-/t21-,24+,25-,26+,27-/m1/s1
InChIKey:
YUGCAAVRZWBXEQ-WHTXLNIXSA-N

Synonyms
  • previtamin D3
  • (6Z)-(3S)-9,10-seco-5(10), 6,8-cholestatrien-3-ol

Databases
MetaCyc:  CPD-10570
ChEBI:  8403
PubChem (CID):  5281058
HMDB:  HMDB06500
KEGG:  C07711
Seed:  cpd04847
MetaNetX:  MNXM12733