Cas no 103190-38-1 ([(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate)

[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate structure
103190-38-1 structure
Product Name:[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
CAS No:103190-38-1
MF:C45H74O2
MW:647.06787443161
CID:125489
PubChem ID:10283027
Update Time:2025-04-18

[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Chemical and Physical Properties

Names and Identifiers

    • [(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
    • Cholesteryl octadecatrienoate
    • [(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthr
    • [(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octadeca-9,12,15-trienoate
    • 103190-38-1
    • [(3S,10R,13R,17R)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl](9Z,12Z,15Z)-octadeca-9,12,15-trienoate
    • Inchi： 1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36?,38-,39?,40+,41?,42?,44-,45+/m0/s1
    • InChI Key： FYMCIBHUFSIWCE-NHVJTOKGSA-N
    • SMILES： O(C(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)[C@H]1CC[C@@]2(C)C(C1)=CCC1C2CC[C@]2(C)[C@@H](C(C)CCCC(C)C)CCC21

Computed Properties

  • Exact Mass: 646.56922
  • Monoisotopic Mass: 646.56888160g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 47
  • Rotatable Bond Count: 20
  • Complexity: 1060
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 4
  • Defined Bond Stereocenter Count: 3
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 15.2
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

[(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate Related Literature

103190-38-1 ([(3S,10R,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate) Related Products

Recommended suppliers
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
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
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.