Cas no 130203-68-8 (2,5-Cyclohexadiene-1,4-dione,3,5-dihydroxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1R-(1a,2b,4ab,8aa)]- (9CI))

2,5-Cyclohexadiene-1,4-dione,3,5-dihydroxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1R-(1a,2b,4ab,8aa)]- (9CI) structure
130203-68-8 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,3,5-dihydroxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1R-(1a,2b,4ab,8aa)]- (9CI)
CAS No:130203-68-8
MF:C21H28O4
MW:344.444626808167
CID:174073
PubChem ID:452330
Update Time:2025-04-19

2,5-Cyclohexadiene-1,4-dione,3,5-dihydroxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1R-(1a,2b,4ab,8aa)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 2,5-Cyclohexadiene-1,4-dione,3,5-dihydroxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1R-(1a,2b,4ab,8aa)]- (9CI)
    • 2,5-Cyclohexadiene-1,4-dione,3,5-dihydroxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1R-(
    • 4-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,5-dihydroxycyclohexa-3,5-diene-1,2-dione
    • 2,5-Cyclohexadiene-1,4-dione, 3,5-dihydroxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-, [1R-(1.alpha.,2.beta.,4.alpha..beta.,8a.alpha.)]-
    • 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,5-dihydroxy-1,4-benzoquinone
    • 2,5-Cyclohexadiene-1,4-dione, 3,5-dihydroxy-2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-, (1R-(1alpha,2beta,4alphabeta,8aalpha))-
    • DTXSID60926636
    • Avarone B
    • 130203-68-8
    • 4',6'-Dihydroxyavarone
    • 3,5-Dihydroxy-4-[(1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl]cyclohexa-3,5-diene-1,2-dione
    • Inchi： 1S/C21H28O4/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-15(22)10-16(23)19(25)18(14)24/h6,10,13,17,22,24H,5,7-9,11H2,1-4H3/t13-,17+,20+,21+/m0/s1
    • InChI Key： LPYFOOZYKZBULV-NUATZEMDSA-N
    • SMILES： OC1C(C(C=C(C=1C[C@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@@H]12)O)=O)=O

Computed Properties

  • Exact Mass: 344.19884
  • Monoisotopic Mass: 344.199
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 2
  • Complexity: 726
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.185
  • Boiling Point: 430°Cat760mmHg
  • Flash Point: 228°C
  • Refractive Index: 1.57
  • PSA: 74.6

2,5-Cyclohexadiene-1,4-dione,3,5-dihydroxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1R-(1a,2b,4ab,8aa)]- (9CI) Related Literature

Related Categories

130203-68-8 (2,5-Cyclohexadiene-1,4-dione,3,5-dihydroxy-2-[(1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl]-,[1R-(1a,2b,4ab,8aa)]- (9CI)) Related Products

Recommended suppliers
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.