Cas no 1260-05-5 (1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)- (9CI))

1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)- (9CI) structure
1260-05-5 structure
Product Name:1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)- (9CI)
CAS No:1260-05-5
MF:C32H52O3
MW:484.753490447998
CID:164973
PubChem ID:91895435
Update Time:2025-04-19

1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)- (9CI)
    • 1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,...
    • 1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6
    • PHLEGMANOL C
    • 3-Epi-O-Acetyl-21-serratenediol
    • Epipinoresinol methyl ether
    • philligenin
    • Phillygenol
    • phylligenin
    • sylvatesmin
    • [ "" ]
    • AKOS032962280
    • FS-10273
    • C(14a)-Homo-27-norgammacer-14-ene-3beta,21beta-diol 3-acetate
    • 1260-05-5
    • DTXSID401098288
    • 21-epi-Serratenediol 3-acetate; 21-Hydroxyserrat-14-en-3-yl acetate
    • [(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] acetate
    • 1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-, 3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-
    • 1H-Cyclohepta[1,2-a:5,4-aa(2)]dinaphthalene-3,11-diol, 2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-, 3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-
    • Inchi： 1S/C32H52O3/c1-20(33)35-27-15-18-32(8)24(29(27,4)5)13-16-30(6)19-21-9-11-23-28(2,3)26(34)14-17-31(23,7)22(21)10-12-25(30)32/h9,22-27,34H,10-19H2,1-8H3/t22-,23-,24-,25-,26+,27-,30-,31+,32-/m0/s1
    • InChI Key： JTMRPEBSVBAWGS-UFEYJMCTSA-N
    • SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@H]23)O)C1(C)C

Computed Properties

  • Exact Mass: 484.39200
  • Monoisotopic Mass: 484.392
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 2
  • Complexity: 901
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 9
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 46.5A^2
  • XLogP3: 8.1

Experimental Properties

  • Color/Form: Powder
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 543.1±50.0 °C at 760 mmHg
  • Flash Point: 196.5±22.9 °C
  • PSA: 46.53000
  • LogP: 7.71050
  • Vapor Pressure: 0.0±3.3 mmHg at 25°C

1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)- (9CI) Security Information

1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)- (9CI) Pricemore >>

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1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)- (9CI) Related Literature

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1260-05-5 (1H-Cyclohepta[1,2-a:5,4-a']dinaphthalene-3,11-diol,2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-eicosahydro-4,4,6a,10,10,13a,15b-heptamethyl-,3-acetate, (3S,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)- (9CI)) Related Products

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