Vitamin D4

CAS Registry Number®

511-28-4
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CAS Name

Vitamin D4

Molecular Formula

C28H46O

Molecular Mass

398.66

Cite this Page

Vitamin D4.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=511-28-4 (retrieved 2024-04-26) (CAS RN: 511-28-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    97 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C28H46O/c1-19(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/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1

InChIKey

InChIKey=DIPPFEXMRDPFBK-JPWDPSJFSA-N

SMILES

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

Canonical SMILES

OC1CC(=CC=C2CCCC3(C)C2CCC3C(C)CCC(C)C(C)C)C(=C)CC1

Other Names for this Substance

  • Cyclohexanol, 4-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,4S)-1,4,5-trimethylhexyl]-4H-inden-4-ylidene]ethylidene]-, (1S,3Z)-
  • Vitamin D4
  • 9,10-Secoergosta-5,7,10(19)-trien-3-ol, (3β,5Z,7E)-
  • Ergocalciferol, 22,23-dihydro-
  • (1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,4S)-1,4,5-trimethylhexyl]-4H-inden-4-ylidene]ethylidene]cyclohexanol

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