Cas no 24512-58-1 (Elsinochrome B)
Elsinochrome B structure
Product Name:Elsinochrome B
CAS No:24512-58-1
MF:C30H26O10
MW:546.521449565887
CID:265403
Update Time:2024-02-29
Elsinochrome B Chemical and Physical Properties
Names and Identifiers
-
- Benzo[ghi]perylene-4,11-dione,1-acetyl-1,2-dihydro-5,10-dihydroxy-2-(1-hydroxyethyl)-3,7,8,12-tetramethoxy-
- ElsinochromeB (7CI)
- Elsinochrome B
- NSC671196
- NCI60_025145
- acetyl-dihydroxy-(1-hydroxyethyl)-tetramethoxy-[?]dione
-
- Inchi： 1S/C30H26O10/c1-9(31)15-16(10(2)32)26-24-22-18(28(36)30(26)40-6)12(34)8-14(38-4)20(22)19-13(37-3)7-11(33)17-21(19)23(24)25(15)29(39-5)27(17)35/h7-9,15-16,31,35-36H,1-6H3
- InChI Key： XOLHPTZQLUNXFP-UHFFFAOYSA-N
- SMILES： OC(C)C1C2C(=C(C3C(C=C(C4=C5C(=CC(C6C(=C(C(=C(C5=6)C=2C4=3)C1C(C)=O)OC)O)=O)OC)OC)=O)O)OC
Computed Properties
- Exact Mass: 546.153
- Monoisotopic Mass: 546.153
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 40
- Rotatable Bond Count: 6
- Complexity: 1160
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 149
Experimental Properties
- Density: 1.55±0.1 g/cm3(Predicted)
- Boiling Point: 924.5±65.0 °C(Predicted)
Elsinochrome B Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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