Previtamin D3

CAS Registry Number®

1173-13-3
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CAS Name

Previtamin D3

Molecular Formula

C27H44O

Molecular Mass

384.64

Cite this Page

Previtamin D3.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1173-13-3 (retrieved 2024-04-16) (CAS RN: 1173-13-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=YUGCAAVRZWBXEQ-WHTXLNIXSA-N

SMILES

C[C@@]12[C@](C(/C=C\C3=C(C)CC[C@H](O)C3)=CCC1)(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

OC1CC(C=CC2=CCCC3(C)C2CCC3C(C)CCCC(C)C)=C(C)CC1

Other Names for this Substance

  • 3-Cyclohexen-1-ol, 3-[(1Z)-2-[(1R,3aR,7aR)-1-[(1R)-1,5-dimethylhexyl]-2,3,3a,6,7,7a-hexahydro-7a-methyl-1H-inden-4-yl]ethenyl]-4-methyl-, (1S)-
  • 9,10-Secocholesta-5(10),6,8-trien-3β-ol
  • Previtamin D3
  • 9,10-Secocholesta-5(10),6,8-trien-3-ol, (3β,6Z)-
  • Precalciferol

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