Cas no 17948-35-5 ((+)-Isorhoeagenin)
(+)-Isorhoeagenin structure
Product Name:(+)-Isorhoeagenin
CAS No:17948-35-5
MF:C20H19NO6
MW:369.367965936661
CID:2053389
PubChem ID:609840
Update Time:2025-04-21
(+)-Isorhoeagenin Chemical and Physical Properties
Names and Identifiers
-
- (+)-Isorhoeagenin
- NCGC00180546-03!
- ACon1_001400
- 13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.02,10.04,8.015,23.018,22]pentacosa-2,4(8),9,15(23),16,18(22)-hexaen-24-ol
- Isorhoeagenine
- CHEBI:168501
- 6-Methyl-5b,6,7,8,13b,15-hexahydro[1,3]dioxolo[4,5-H][1,3]dioxolo[4',5':7,8]isochromeno[3,4-a][3]benzazepin-15-ol #
- Rhoeagenine
- Rheadan-8-ol, 16-methyl-2,3:10,11-bis[methylenebis(oxy)]-, (8.beta.)-
- BRD-A42749084-001-01-6
- 1,3-Benzodioxole-4,5-dimethanol, .alpha.4-methoxy-.alpha.5-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-
- Isorheagenine
- XUYAYNRYVXHNOQ-UHFFFAOYSA-N
- 13-methyl-5,7,19,21,25-pentaoxa-13-azahexacyclo[12.11.0.0^{2,10}.0^{4,8}.0^{15,23}.0^{18,22}]pentacosa-2,4(8),9,15,17,22-hexaen-24-ol
- DTXSID601103758
- 17948-35-5
- (5bR,13bS,15R)-5b,6,7,8,13b,15-Hexahydro-6-methyl[1,3]dioxolo[4,5-h]-1,3-dioxolo[7,8][2]benzopyrano[3,4-a][3]benzazepin-15-ol
-
- Inchi： 1S/C20H19NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)18-17(21)11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18,20,22H,4-5,8-9H2,1H3
- InChI Key： XUYAYNRYVXHNOQ-UHFFFAOYSA-N
- SMILES： O1C(C2C3=C(C=CC=2C2C1C1C=C4C(=CC=1CCN2C)OCO4)OCO3)O
Computed Properties
- Exact Mass: 369.12123733g/mol
- Monoisotopic Mass: 369.12123733g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 27
- Rotatable Bond Count: 0
- Complexity: 577
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 69.6?2
(+)-Isorhoeagenin Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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