Cas no 134508-36-4 (1,3-Cyclohexanediol,5-[[1-(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-(9CI))

1,3-Cyclohexanediol,5-[[1-(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-(9CI) structure
134508-36-4 structure
Product Name:1,3-Cyclohexanediol,5-[[1-(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-(9CI)
CAS No:134508-36-4
MF:C29H46O3
MW:442.673749446869
CID:142747
PubChem ID:9547514
Update Time:2025-04-19

1,3-Cyclohexanediol,5-[[1-(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 1,3-Cyclohexanediol,5-[[1-(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-(9CI)
    • (5E)-5-[(2E)-2-[1-[(E)-6-ethyl-6-hydroxyoct-3-en-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-dihomo-22-ene-vitamin D3
    • 1,3-Cyclohexanediol,5-[[1-(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methyle
    • (5E)-5-[(2E)-2-{1-[(2E)-5-ethyl-5-hydroxy-1-methylhept-2-en-1-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name)
    • 1,25-Dde-D3
    • 1,25-Dihydroxy-26,27-dihomo-22-ene-cholecalciferol
    • 1,3-Cyclohexanediol, 5-((1,(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene)ethylidene)-4-methylene-
    • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-ethyl-6-hydroxyoct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
    • (22E)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydrovitamin D3 / (22E)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydrocholecalciferol
    • (5Z,7E,22E)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol
    • LMST03020406
    • 134508-36-4
    • Inchi： 1S/C29H46O3/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(30)19-27(31)21(23)4/h8,10,12-13,20,24-27,30-32H,4,6-7,9,11,14-19H2,1-3,5H3/b10-8+,22-12+,23-13-/t20-,24-,25-,26+,27+,28-/m1/s1
    • InChI Key： WHWKLKACDYYBGB-UFUMXLEGSA-N
    • SMILES： OC(CC)(CC)C/C=C/[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: 442.344695
  • Monoisotopic Mass: 442.344695
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 7
  • Complexity: 756
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 60.7
  • XLogP3: 5.6

Experimental Properties

  • Density: 1.06
  • Boiling Point: 592.2°Cat760mmHg
  • Flash Point: 246.5°C
  • Refractive Index: 1.552

1,3-Cyclohexanediol,5-[[1-(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-(9CI) Related Literature

134508-36-4 (1,3-Cyclohexanediol,5-[[1-(5-ethyl-5-hydroxy-1-methyl-2-heptenyl)octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-(9CI)) Related Products

Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk