Cas no 55394-76-8 ( )
structure
Product Name:
CAS No:55394-76-8
MF:C26H41NO7
MW:479.606248617172
CID:943859
PubChem ID:6330377
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- methyl (1R,2S,4aR,4bS,7E,8R,8aS,9S,10aR)-2-acetyloxy-9-hydroxy-1,4a,8-trimethyl-7-[2-[2-(methylamino)ethoxy]-2-oxoethylidene]-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate
- 3-Acetoxynorerythrostachamide
- AC1O3JQ9
- NSC179174
- NSC-179174
- DTXSID60422643
- 55394-76-8
-
-
- Inchi： 1S/C26H41NO7/c1-15-17(13-22(30)33-12-11-27-5)7-8-18-23(15)19(29)14-20-25(18,3)10-9-21(34-16(2)28)26(20,4)24(31)32-6/h13,15,18-21,23,27,29H,7-12,14H2,1-6H3/b17-13-
- InChI Key： WRJOCQMOVOLQJC-LGMDPLHJSA-N
- SMILES： CNCCOC(/C=C1\C(C)C2C(CC3C(C(OC)=O)(C)C(OC(=O)C)CCC3(C2CC\1)C)O)=O
Computed Properties
- Exact Mass: 479.28843
- Monoisotopic Mass: 479.288
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 34
- Rotatable Bond Count: 9
- Complexity: 826
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 111A^2
- XLogP3: 2.5
Experimental Properties
- Density: 1.17
- Boiling Point: 567.7°C at 760 mmHg
- Flash Point: 297.1°C
- Refractive Index: 1.53
- PSA: 111.16
- LogP: 3.02050
Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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