Maxacalcitol

CAS Registry Number®

103909-75-7
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CAS Name

Maxacalcitol

Molecular Formula

C26H42O4

Molecular Mass

418.61

Cite this Page

Maxacalcitol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103909-75-7 (retrieved 2024-05-02) (CAS RN: 103909-75-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1

InChIKey

InChIKey=DTXXSJZBSTYZKE-ZDQKKZTESA-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](OCCC(C)(C)O)C)[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-2-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
  • 1,3-Cyclohexanediol, 4-methylene-5-[2-[octahydro-1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, [1S-[1α(R*),3aβ,4E(1S*,3R*,5Z),7aα]]-
  • 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)-
  • (1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1S,3aS,7aS)-octahydro-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol
  • 22-Oxacalcitriol

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