Cas no 6105-16-4 (Jaborosalactone B)
Jaborosalactone B structure
Product Name:Jaborosalactone B
Jaborosalactone B Chemical and Physical Properties
Names and Identifiers
-
- Jaborosalactone B
- (+)-3-[3-[N-[4,5-dimethoxybenzocyclobutan-1(S)-ylmethyl]-N-methylamino]propyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one hydrochloride
- 3-{3-[{[(7S)-3,4-dimethoxybicyclo[4,2,0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]-propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one hydrochloride
- Coralan
- Ivabradine HCl
- Ivabradine hydrochloride
- Iva-Val-StaP-OEt
- Procoralan (TN)
- S-16257
- UNII-TP19837BZK
- CHEMBL465076
- 6105-16-4
- 6,27-dihydroxy-22,26-epoxyergosta-2,4,24-triene-1,26-dione
- NSC109438
- NSC-109438
- DTXSID90976543
-
- Inchi： 1S/C28H38O5/c1-15-12-24(33-26(32)18(15)14-29)16(2)19-8-9-20-17-13-23(30)22-6-5-7-25(31)28(22,4)21(17)10-11-27(19,20)3/h5-7,16-17,19-21,23-24,29-30H,8-14H2,1-4H3
- InChI Key： DZSFTVFZQVZQIU-UHFFFAOYSA-N
- SMILES： CC(C1OC(=O)C(CO)=C(C)C1)C1C2(C(C3C(CC2)C2(C(=CC=CC2=O)C(O)C3)C)CC1)C
Computed Properties
- Exact Mass: 454.27204
- Monoisotopic Mass: 454.27192431g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 33
- Rotatable Bond Count: 3
- Complexity: 959
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
- LogP: 4.14170
Jaborosalactone B Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Withanolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Withanolides and derivatives
- Natural Products and Extracts Plant Extracts Plant based Jaborosa integrifolia
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