Cas no 106372-51-4 (1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1-methyl-5-propyloctyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI))

1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1-methyl-5-propyloctyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI) structure
106372-51-4 structure
Product Name:1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1-methyl-5-propyloctyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI)
CAS No:106372-51-4
MF:C31H52O3
MW:472.742790222168
CID:218919
PubChem ID:9547602
Update Time:2025-04-19

1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1-methyl-5-propyloctyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1-methyl-5-propyloctyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI)
    • (5E)-5-[(2E)-2-[1-(6-hydroxy-6-propylnonan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    • 1,25-dihydroxy-26,27-dipropylcholecalciferol
    • 1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1-methyl-5-propyloctyl]-7a-methyl-4H-inden-
    • (5E)-5-{(2E)-2-[1-(5-hydroxy-1-methyl-5-propyloctyl)-7a-methyloctahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol (non-preferred name)
    • 1,25-Ddpv-D3
    • 1,3-Cyclohexanediol, 4-methylene-5-((octahydro-1-(5-hydroxy-1-methyl-5-propyloctyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-, (1R-(1alpha(R*),3abeta,4E(1R*,3S*,5Z),7aalpha))-
    • 1α,25-Dihydroxy-26,27-dipropylvitamin D3
    • 26,27-Dipropyl-1α,25-dihydroxy vitamin D3
    • 1,3-Cyclohexanediol, 4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1-methyl-5-propyloctyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-, (1R,3S,5Z)- (9CI)
    • (5Z,7E)-(1S,3R)-26,27-diethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
    • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-propylnonan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    • 26,27-diethyl-1alpha,25-dihydroxyvitamin D3 / 26,27-diethyl-1alpha,25-dihydroxycholecalciferol
    • LMST03020498
    • 26,27-Diethyl-1alpha,25-dihydroxyvitamin D3/26,27-diethyl-1alpha,25-dihydroxycholecalciferol
    • 106372-51-4
    • Inchi： 1S/C31H52O3/c1-6-16-31(34,17-7-2)19-8-10-22(3)27-14-15-28-24(11-9-18-30(27,28)5)12-13-25-20-26(32)21-29(33)23(25)4/h12-13,22,26-29,32-34H,4,6-11,14-21H2,1-3,5H3/b24-12+,25-13-/t22-,26-,27-,28+,29+,30-/m1/s1
    • InChI Key： RKYCSEUXODRKTL-CYUGBHQCSA-N
    • SMILES： OC(CCC)(CCC)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C(=C)[C@H](C[C@@H](C\3)O)O)/CCC[C@]12C

Computed Properties

  • Exact Mass: 472.391646
  • Monoisotopic Mass: 472.391646
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 10
  • Complexity: 744
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 6.8
  • Topological Polar Surface Area: 60.7

Experimental Properties

  • Density: 1.03
  • Boiling Point: 607°Cat760mmHg
  • Flash Point: 246.1°C
  • Refractive Index: 1.538

1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1-methyl-5-propyloctyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI) Related Literature

106372-51-4 (1,3-Cyclohexanediol,4-methylene-5-[(2E)-[(1R,3aS,7aR)-octahydro-1-[(1R)-5-hydroxy-1-methyl-5-propyloctyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)- (9CI)) Related Products

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