Cas no 23044-40-8 (2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione,9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-(9CI))
![2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione,9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-(9CI) structure](https://ossimg.kuujia.com/scimg/23500/23044-40-8x500.png)
23044-40-8 structure
Product Name:2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione,9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-(9CI)
CAS No:23044-40-8
MF:C19H22ClN3O6S
MW:455.912482738495
CID:272125
PubChem ID:12442966
Update Time:2025-04-19
2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione,9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione,9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-
- 2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione,9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-(9CI)
- sporidesmin F
- 23044-40-8
- E4MOI6F03Y
- UNII-E4MOI6F03Y
- (+/-)-SPORIDESMIN F
- 12-chloro-8,9-dihydroxy-13,14-dimethoxy-5,16-dimethyl-4-methylidene-7-methylsulanyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
- 2H-Pyrazino(1',2':1,5)pyrrolo(2,3-b)indole-1,4(3H,6H)-dione, 9-chloro-5a,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-
- DTXSID00945725
- SPORIDESMIN F, (+/-)-
- Q27276862
- 9-Chloro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylidene-11a-(methylsulfanyl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
- CHEBI:219298
- 12-chloro-8,9-dihydroxy-13,14-dimethoxy-5,16-dimethyl-4-methylidene-7-methylsulfanyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
-
- Inchi： 1S/C19H22ClN3O6S/c1-8-14(24)23-16-18(27,15(25)19(23,30-6)17(26)21(8)2)9-7-10(20)12(28-4)13(29-5)11(9)22(16)3/h7,15-16,25,27H,1H2,2-6H3
- InChI Key： CHLALSASKWYQEZ-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C2=C(C=1)C1(C(C3(C(N(C)C(=C)C(N3C1N2C)=O)=O)SC)O)O)OC)OC
Computed Properties
- Exact Mass: 455.0917843g/mol
- Monoisotopic Mass: 455.0917843g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- Rotatable Bond Count: 3
- Complexity: 802
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 128?2
2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione,9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-(9CI) Security Information
- Hazardous Material transportation number：1544
- HazardClass：6.1(b)
- PackingGroup：III
2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione,9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-(9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
23044-40-8 (2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione,9-chloro-6,10b,11,11a-tetrahydro-10b,11-dihydroxy-7,8-dimethoxy-2,6-dimethyl-3-methylene-11a-(methylthio)-(9CI)) Related Products
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- 59888-47-0(2,10,10-trimethyl-3-methylidene-10a-sulfanylpyrazino[1,2-a]indole-1,4-dione)
- 84260-71-9(dethio-tetra(methylthio)chetomin)
- 52212-86-9((3S,5aR,10bS,11S,11aS)-11-hydroxy-10b-[(3R,5aS,10bS,11R,11aR)-11-hydroxy-3-(hydroxymethyl)-2-methyl-1,4-dioxo-1,2,3,4,5a,6-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indol-10b(11H)-yl]-2,3-dimethyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiop)
- 37934-52-4(Melinacidin IV)
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- 28097-03-2(Chaetocin)
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- 160472-96-8(22bH-18,22a-(Iminomethano)-10b,23a-methano-10bH,23aH-indolo[2'',3'':2',3'][1,2,3,4,6]tetrathiazocino[6'',5'':1',5']pyrrolo[3',4':6,7]pyrazino[2''',1''':2,3][1,3]oxazepino[4,5-b]indole-1,4,17,25(18H)-tetrone,2,3,5a,6,15,15a-hexahydro-24-hydroxy-3-(hydroxymethyl)-2,26-dimethyl-18-(1-methylethyl)-,(3R,5aS,10bR,10cS,15aR,18S,22aS,22bS,23aS,24S)-rel-(+)- (9CI))
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