Cas no 37720-87-9 ((14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol)
37720-87-9 structure
Product Name:(14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol
CAS No:37720-87-9
MF:C20H34O7
MW:386.47976732254
CID:1485701
PubChem ID:11581815
Update Time:2024-03-04
(14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol Chemical and Physical Properties
Names and Identifiers
-
- grayanotoxane-2,3,5,6,10,14,16-heptol
- (14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol
- Rhodojaponin VI
- DTXSID50958764
- BRN 4264514
- 37720-87-9
- HDF301Z2JX
- CHEMBL3763411
- Grayanotoxane-2,3,5,6,10,14,16-heptol, (2.alpha.,3.beta.,6.beta.,14R)-
- Q27279871
- NS00093922
- UNII-HDF301Z2JX
- Grayanotoxane-2,3,5,6,10,14,16-heptol, (3-beta,6-beta,14R)-
- (-)-Rhodomollein XVIII
- Rhodomollein XVIII
-
- Inchi: 1S/C20H34O7/c1-16(2)15(24)12(22)13-18(4,26)10-6-5-9-14(23)19(10,8-17(9,3)25)7-11(21)20(13,16)27/h9-15,21-27H,5-8H2,1-4H3
- InChI Key: OIRQCTPPDJLTNN-UHFFFAOYSA-N
- SMILES: OC1(C)C2C(C(C(C)(C)C2(C(CC23CC(C)(C(CCC21)C3O)O)O)O)O)O
Computed Properties
- Exact Mass: 386.23045342g/mol
- Monoisotopic Mass: 386.23045342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 0
- Complexity: 654
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 142?2
(14R)-Grayanotoxane-2α,3β,5,6β,10,14,16-heptol Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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