Cas no 121077-35-8 (3,4-Phenanthrenedione,5,6,7,8-tetrahydro-1-hydroxy-2-(2-hydroxy-1-methylethyl)-8,8-dimethyl-)
121077-35-8 structure
Product Name:3,4-Phenanthrenedione,5,6,7,8-tetrahydro-1-hydroxy-2-(2-hydroxy-1-methylethyl)-8,8-dimethyl-
CAS No:121077-35-8
MF:C19H22O4
MW:314.375586032867
CID:218386
PubChem ID:184103
Update Time:2025-04-19
3,4-Phenanthrenedione,5,6,7,8-tetrahydro-1-hydroxy-2-(2-hydroxy-1-methylethyl)-8,8-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- TanshinoneV
- 1-Hydroxy-2-(2-hydroxy-1-methylethyl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
- 3,4-Phenanthrenedione,5,6,7,8-tetrahydro-1-hydroxy-2-(2-hydroxy-1-methylethyl)-8,8-dimethyl-
- Tanshinone V
- SCHEMBL14417697
- 121077-35-8
- DTXSID60911284
- 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione
- 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
- CHEMBL1209715
- E80774
-
- Inchi： 1S/C19H22O4/c1-10(9-20)14-16(21)12-6-7-13-11(5-4-8-19(13,2)3)15(12)18(23)17(14)22/h6-7,10,20-21H,4-5,8-9H2,1-3H3
- InChI Key： LGZFJHSOBYVDLA-UHFFFAOYSA-N
- SMILES： OC1=C(C(C(C2=C1C=CC1=C2CCCC1(C)C)=O)=O)C(C)CO
Computed Properties
- Exact Mass: 314.15186
- Monoisotopic Mass: 314.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 560
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6A^2
- XLogP3: 3
Experimental Properties
- Density: 1.255
- Boiling Point: 505.3°C at 760 mmHg
- Flash Point: 273.5°C
- Refractive Index: 1.602
- PSA: 74.6
3,4-Phenanthrenedione,5,6,7,8-tetrahydro-1-hydroxy-2-(2-hydroxy-1-methylethyl)-8,8-dimethyl- Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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