Cas no 69176-72-3 ((6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone)
69176-72-3 structure
Product Name:(6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone
CAS No:69176-72-3
MF:C18H16N2O6S2
MW:420.459442138672
CID:2014652
PubChem ID:155232
Update Time:2025-04-21
(6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone Chemical and Physical Properties
Names and Identifiers
-
- 4,5-a']diindole-1,6,8,13-tetraone
- Epicorazin A
- epicorazine-A
- (4S)-4,4aα,7,7aα,11,11aα,14,14aβ-Octahydro-4α,11α-dihydroxy-8H,13H-6aβ,13aβ-epidithio-1H,6H-pyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone
- 4,5-a']diin
- 5,15-dihydroxy-21,22-dithia-3,13-diazahexacyclo[9.9.2.01,13.03,11.04,9.014,19]docosa-6,16-diene-2,8,12,18-tetrone
- NSC 287069
- DTXSID10977830
- NSC-287069
- 8H,13H-6a,13a-Epidithio-1H,6H-pyrazino(1,2-a:4,5-a')diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7aalpha,11alpha,11aalpha,13abeta,14abeta))-
- 4,11-Dihydroxy-4,4a,7,7a,11,11a,14,14a-octahydro-1H,6H,8H,13H-6a,13a-epidithiopyrazino[1,2-a:4,5-a']diindole-1,6,8,13-tetrone
- SCHEMBL17971327
- 69176-72-3
- NSC287069
- 8H,13H-6a,13a-Epidithio-1H,6H-pyrazino(1,2-a:4,5-a')diindole-1,6,8,13-tetrone, 4,4a,7,7a,11,11a,14,14a-octahydro-4,11-dihydroxy-, (4S-(4alpha,4aalpha,6abeta,7abeta,11alpha,11aalpha,13abeta,14abeta))-
- 62256-05-7
- 6CS76F5HZN
- UNII-6CS76F5HZN
- CHEMBL2001430
- Epicorazine B
- Epicorazine A
- (6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone
-
- Inchi: 1S/C18H16N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h1-4,7-8,11-14,23-24H,5-6H2
- InChI Key: RCODXLGTKJXDNC-UHFFFAOYSA-N
- SMILES: OC1C2C(CC34N2C(=O)C2(N(C3=O)C3C(C=CC(C3C2)=O)O)SS4)C(=O)C=C1
Computed Properties
- Exact Mass: 420.045
- Monoisotopic Mass: 420.045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- Rotatable Bond Count: 0
- Complexity: 861
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 166A^2
- XLogP3: -1.7
Experimental Properties
- Density: 1.85
- Boiling Point: 870.7°Cat760mmHg
- Flash Point: 480.4°C
- Refractive Index: 1.839
(6aR)-4t,11t-dihydroxy-(4at,7ac,11at,14ac)-4,4a,7,7a,11,11a,14,14a-octahydro-6ar,13ac-epidisulfano-pyrazino[1,2-a;4,5-a']diindole-1,6,8,13-tetraone Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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