Ro 23-7553

CAS Registry Number®

118694-43-2
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CAS Name

Ro 23-7553

Molecular Formula

C27H38O3

Molecular Mass

410.59

Cite this Page

Ro 23-7553.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=118694-43-2 (retrieved 2024-09-11) (CAS RN: 118694-43-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    82-88 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H38O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-12,18,22,24-25,28-30H,2,7-9,13,15-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,24+,25+,27-/m1/s1

InChIKey

InChIKey=JKFZMIQMKFWJAY-RQJQXFIZSA-N

SMILES

C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC=C2[C@@H](CC#CC(C)(C)O)C)[H]

Canonical SMILES

OC1C(=C)C(=CC=C2CCCC3(C(=CCC23)C(C)CC#CC(O)(C)C)C)CC(O)C1

Other Names for this Substance

  • 1,3-Cyclohexanediol, 5-[(2E)-2-[(3aS,4E,7aS)-3,3a,5,6,7,7a-hexahydro-1-[(1R)-5-hydroxy-1,5-dimethyl-3-hexyn-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-, (1R,3S,5Z)-
  • 9,10-Secocholesta-5,7,10(19),16-tetraen-23-yne-1,3,25-triol, (1α,3β,5Z,7E)-
  • (1R,3S,5Z)-5-[(2E)-2-[(3aS,4E,7aS)-3,3a,5,6,7,7a-Hexahydro-1-[(1R)-5-hydroxy-1,5-dimethyl-3-hexyn-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-cyclohexanediol
  • Ro 23-7553
  • 1α,25-Dihydroxyvitamin-16-ene-23-yne D3

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Deleted or Replaced CAS Registry Numbers

136236-48-1, 205672-94-2