Cas no 30373-79-6 (Hetisan-2α,3β,9β,15β-tetrol)
Hetisan-2α,3β,9β,15β-tetrol structure
Product Name:Hetisan-2α,3β,9β,15β-tetrol
CAS No:30373-79-6
MF:C20H27NO4
MW:345.432686090469
CID:317845
Update Time:2024-03-04
Hetisan-2α,3β,9β,15β-tetrol Chemical and Physical Properties
Names and Identifiers
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- Hetisan-2,3,9,15-tetrol,(2a,3b,15b)- (9CI)
- Hetisan-2α,3β,9β,15β-tetrol
- 1H,4H,7H-6a,9-Ethano-5,7,10b-methenodibenz[cd,f]indole,hetisan-2,3,9,15-tetrol deriv.
- Anhydroignavinol
- Ignavinol
- Ignavinol,anhydro- (6CI,8CI)
- CID 102115631
- Hetisan-2,3,9,15-tetrol, (2α,3β,15β)- (9CI)
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- Inchi： 1S/C20H27NO4/c1-8-9-3-10-14-19-6-12(22)16(24)17(2)7-21(14)11(13(17)19)5-18(10,15(8)23)20(19,25)4-9/h9-16,22-25H,1,3-7H2,2H3/t9-,10+,11-,12+,13+,14+,15+,16-,17+,18-,19+,20-/m0/s1
- InChI Key： IZAMPMCOQUBWAE-BORAZZBASA-N
- SMILES： O[C@@]12C[C@H]3C(=C)[C@H]([C@]41C[C@H]1[C@@H]5[C@]6(C)[C@H]([C@@H](C[C@@]25[C@@H]([C@H]4C3)N1C6)O)O)O
Computed Properties
- Exact Mass: 345.194
- Monoisotopic Mass: 345.194
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 756
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 12
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 84.2
Hetisan-2α,3β,9β,15β-tetrol Related Literature
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1. 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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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