Cas no 174293-69-7 (Hetisan-2,13-dione, 7,11,14-trihydroxy-, (7α,11α)- (9CI))
174293-69-7 structure
Product Name:Hetisan-2,13-dione, 7,11,14-trihydroxy-, (7α,11α)- (9CI)
CAS No:174293-69-7
MF:C20H23NO5
MW:357.400326013565
CID:2712465
Update Time:2024-03-01
Hetisan-2,13-dione, 7,11,14-trihydroxy-, (7α,11α)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Hetisan-2,13-dione, 7,11,14-trihydroxy-, (7α,11α)- (9CI)
- 7,11,14-Trihydroxy-2,13-dioxohetisane
- (+)-Orientinine
-
- Inchi： 1S/C20H23NO5/c1-7-3-19-13-11(23)9(7)14(24)20(19,26)16-18(13)5-8(22)4-17(2)6-21(16)10(12(17)18)15(19)25/h9-13,15-16,23,25-26H,1,3-6H2,2H3/t9-,10-,11+,12-,13+,15-,16+,17-,18+,19+,20+/m1/s1
- InChI Key： FMIFAABVMYNFTI-OZROLSLXSA-N
- SMILES： C1N2[C@H]3[C@@H](O)[C@@]45[C@@]6(O)[C@@H]2[C@]2([C@@H]4[C@@H](O)[C@H](C6=O)C(C5)=C)[C@H]3[C@]1(C)CC(C2)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 26
- XLogP3: -2.269
Hetisan-2,13-dione, 7,11,14-trihydroxy-, (7α,11α)- (9CI) Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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