1α-Hydroxyvitamin D5

CAS Registry Number®

187935-17-7

CAS Name

1α-Hydroxyvitamin D5

Molecular Formula

C29H48O2

Molecular Mass

428.69

Cite this Page

1α-Hydroxyvitamin D5.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=187935-17-7 (retrieved 2024-10-06) (CAS RN: 187935-17-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    153-154 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H48O2/c1-7-22(19(2)3)11-10-20(4)26-14-15-27-23(9-8-16-29(26,27)6)12-13-24-17-25(30)18-28(31)21(24)5/h12-13,19-20,22,25-28,30-31H,5,7-11,14-18H2,1-4,6H3/b23-12+,24-13-/t20-,22-,25-,26-,27+,28+,29-/m1/s1

InChIKey

InChIKey=NWFOBODUYTUMNC-VPSCEVSQSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CC[C@H](C(C)C)CC)C)[H])[H]

Canonical SMILES

OC1C(=C)C(=CC=C2CCCC3(C)C2CCC3C(C)CCC(CC)C(C)C)CC(O)C1

Other Names for this Substance

  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-4-ethyl-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
  • 9,10-Secostigmasta-5,7,10(19)-triene-1,3-diol, (1α,3β,5Z,7E)-
  • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-4-Ethyl-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
  • 1α-Hydroxyvitamin D5
  • CARD 024

CAS INSIGHTSTM
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