Cas no 126223-60-7 (Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]-)
126223-60-7 structure
Product Name:Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]-
CAS No:126223-60-7
MF:C21H25NO6
MW:387.42630648613
CID:215027
Update Time:2024-03-01
Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]-
- (-)-Androbiphenyline
- 5H-Dibenzo[a,c]cycloheptene, acetamide deriv.
- Acetamide,N-(6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl)-,(S)-
- Androbiphenyline
- Acetamide, N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]-
-
- Inchi: 1S/C21H25NO6/c1-11(23)22-14-8-6-12-10-16(26-3)20(27-4)21(28-5)17(12)13-7-9-15(25-2)19(24)18(13)14/h7,9-10,14,24H,6,8H2,1-5H3,(H,22,23)/t14-/m0/s1
- InChI Key: DMFNBXZGZQLZMS-AWEZNQCLSA-N
- SMILES: C(N[C@@H]1C2=C(O)C(OC)=CC=C2C2=C(OC)C(OC)=C(OC)C=C2CC1)(=O)C
Computed Properties
- Exact Mass: 387.16825
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- XLogP3: 1.792
Experimental Properties
- Density: 1.28±0.1 g/cm3(Predicted)
- Boiling Point: 581.1±50.0 °C(Predicted)
- PSA: 86.25
- pka: 9.82±0.40(Predicted)
Acetamide,N-[(5S)-6,7-dihydro-4-hydroxy-3,9,10,11-tetramethoxy-5H-dibenzo[a,c]cyclohepten-5-yl]- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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