Cas no 93413-05-9 (11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)-)
93413-05-9 structure
Product Name:11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)-
CAS No:93413-05-9
MF:C25H18N4O3
MW:422.435425281525
CID:806063
PubChem ID:146428
Update Time:2025-04-19
11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)- Chemical and Physical Properties
Names and Identifiers
-
- 11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)-
- 11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydrox
- asperlicin E
- C21148
- (+)-asperlicin E
- 11H-INDOLO(3',2':4,5)PYRROLO(2,1-C)QUINAZOLINO(3,2-A)(1,4)BENZODIAZEPINE-5,11(12AH)-DIONE, 13,17B,18,18A-TETRAHYDRO-17B-HYDROXY-, (12AR,17BS,18AS)-
- Q27162890
- LGN16HT207
- (1S,20R,28S)-28-hydroxy-3,11,19,21-tetrazaheptacyclo[17.10.0.02,11.04,9.012,17.020,28.022,27]nonacosa-2,4,6,8,12,14,16,22,24,26-decaene-10,18-dione
- ASPERLICIN E [MI]
- 93413-05-9
- CHEBI:90903
- 17b-Hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
- 11H-Indolo(3',2':4,5)pyrrolo(2,1-c)quinazolino(3,2-a)(1,4)benzodiazepine-5,11(12aH)-dione, 13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR-(12aalpha,17balpha,18aalpha))-
- UNII-LGN16HT207
- (12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione
- DTXSID60918455
-
- Inchi: 1S/C25H18N4O3/c30-22-14-7-1-4-10-17(14)26-21-20-13-25(32)16-9-3-5-11-18(16)27-24(25)29(20)23(31)15-8-2-6-12-19(15)28(21)22/h1-12,20,24,27,32H,13H2/t20-,24+,25-/m0/s1
- InChI Key: HYHLSEUXMRFVND-AMDXRBSFSA-N
- SMILES: O[C@@]12C3C=CC=CC=3N[C@@H]1N1C(C3C=CC=CC=3N3C(C4C=CC=CC=4N=C3[C@@H]1C2)=O)=O
Computed Properties
- Exact Mass: 422.138
- Monoisotopic Mass: 422.138
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 32
- Rotatable Bond Count: 0
- Complexity: 875
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 85.2?2
Experimental Properties
- Density: 1.6
- Boiling Point: 726.9°Cat760mmHg
- Flash Point: 393.4°C
- Refractive Index: 1.843
11H-Indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione,13,17b,18,18a-tetrahydro-17b-hydroxy-, (12aR,17bS,18aS)- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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