Cas no 526-13-6 ((6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methylbut-2-enoate)
![(6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methylbut-2-enoate structure](https://ossimg.kuujia.com/scimg/1000/526-13-6x500.png)
526-13-6 structure
Product Name:(6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methylbut-2-enoate
CAS No:526-13-6
MF:C13H21NO4
MW:255.31014418602
CID:1578338
PubChem ID:12312780
Update Time:2025-04-21
(6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methylbut-2-enoate Chemical and Physical Properties
Names and Identifiers
-
- (6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methylbut-2-enoate
- 3-tigloyloxy-6,7-dihydroxytropane
- DTXSID901318120
- TIGLIC ACID, 3-ESTER WITH TELOIDINE
- JN0S84O367
- 2-BUTENOIC ACID, 2-METHYL-, (1R,3-ENDO,5S,6S,7R)-6,7-DIHYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (2E)-REL-
- 1alphaH,5alphaH-Tropane-3alpha,6beta,7beta-triol, 3-(2-methylcrotonate), (E)-
- Meteloidine
- [(1R,5S,6S,7R)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-methylbut-2-enoate
- Meteloidin
- 526-13-6
- 6,7-Dihydroxy-3-tigloyloxytropane
- 6,7-Dihydroxytropine 3-tiglic acid ester
- METELOIDINE [MI]
- UNII-JN0S84O367
- Teloidine, 3-tiglate
- SCHEMBL673312
- NS00094395
-
- Inchi： 1S/C13H21NO4/c1-4-7(2)13(17)18-8-5-9-11(15)12(16)10(6-8)14(9)3/h4,8-12,15-16H,5-6H2,1-3H3/b7-4+/t8?,9-,10+,11-,12+
- InChI Key： YZFJTFVPCWEPND-LTDHHRLMSA-N
- SMILES： O[C@@H]1[C@@H]([C@H]2CC(C[C@@H]1N2C)OC(/C(=C/C)/C)=O)O
Computed Properties
- Exact Mass: 255.14713
- Monoisotopic Mass: 255.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 350
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70A^2
- XLogP3: 0.6
Experimental Properties
- Density: 1.23
- Melting Point: 141-142°
- Boiling Point: 383.9°C at 760 mmHg
- Flash Point: 186°C
- Refractive Index: 1.556
- PSA: 70
(6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methylbut-2-enoate Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
526-13-6 ((6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methylbut-2-enoate) Related Products
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