Cas no 53766-26-0 (scutianine C)
scutianine C structure
Product Name:scutianine C
CAS No:53766-26-0
MF:C31H42N4O4
MW:534.689588069916
CID:1080966
PubChem ID:90473277
Update Time:2025-04-20
scutianine C Chemical and Physical Properties
Names and Identifiers
-
- scutianine C
- (2S,3R)-2-Dimethylamino-3-methyl-N-[(3S,4S,7S)-3-isopropyl-5,8-dioxo-7-benzyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14(1),15-tetren-4-yl]pentanamide
- 53766-26-0
-
- Inchi: 1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(20(2)3)39-24-15-13-22(14-16-24)17-18-32-29(36)25(33-30(26)37)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28+/m1/s1
- InChI Key: PFSHVBJLBKINQV-CQEYMGPISA-N
- SMILES: O1C2C=CC(C=CNC([C@H](CC3C=CC=CC=3)NC([C@H]([C@@H]1C(C)C)NC([C@H]([C@H](C)CC)N(C)C)=O)=O)=O)=CC=2 |c:5|
Computed Properties
- Exact Mass: 534.32060583g/mol
- Monoisotopic Mass: 534.32060583g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 39
- Rotatable Bond Count: 8
- Complexity: 830
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 99.8?2
scutianine C Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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