Cas no 129388-65-4 ([1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-14-aceticacid, 13,14-dihydro-13-methyl-, (+)-)
![[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-14-aceticacid, 13,14-dihydro-13-methyl-, (+)- structure](https://ossimg.kuujia.com/scimg/129500/129388-65-4x500.png)
129388-65-4 structure
Product Name:[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-14-aceticacid, 13,14-dihydro-13-methyl-, (+)-
CAS No:129388-65-4
MF:C22H17NO6
MW:391.373486280441
CID:204413
PubChem ID:10430523
Update Time:2025-04-19
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-14-aceticacid, 13,14-dihydro-13-methyl-, (+)- Chemical and Physical Properties
Names and Identifiers
-
- [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-14-aceticacid, 13,14-dihydro-13-methyl-, (+)-
- spallidamine
- (+)-Spallidamine
- DTXSID10439827
- 129388-65-4
-
- Inchi： 1S/C22H17NO6/c1-23-15(8-19(24)25)20-12(4-5-16-22(20)29-10-26-16)13-3-2-11-6-17-18(28-9-27-17)7-14(11)21(13)23/h2-7,15H,8-10H2,1H3,(H,24,25)
- InChI Key： MLIRCDHFNFQJJZ-UHFFFAOYSA-N
- SMILES： O1COC2=CC=C3C4C=CC5C=C6C(=CC=5C=4N(C)C(CC(=O)O)C3=C12)OCO6
Computed Properties
- Exact Mass: 391.10558726g/mol
- Monoisotopic Mass: 391.10558726g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 2
- Complexity: 659
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.7
- Topological Polar Surface Area: 77.5?2
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine-14-aceticacid, 13,14-dihydro-13-methyl-, (+)- Related Literature
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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
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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