Cas no 1312309-91-3 (Speciosin L)
Speciosin L structure
Product Name:Speciosin L
CAS No:1312309-91-3
MF:C10H10O3
MW:178.184603214264
CID:6644295
PubChem ID:101798875
Update Time:2024-03-02
Speciosin L Chemical and Physical Properties
Names and Identifiers
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- 1312309-91-3
- 7-Oxabicyclo[4.1.0]hept-3-ene-2,5-diol, 1-(3-buten-1-yn-1-yl)-, (1R,2R,5R,6S)-rel-(+)-
- (1S,2S,5S,6R)-1-but-3-en-1-ynyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
- DTXSID201126621
- Speciosin L
- CHEBI:202002
-
- Inchi： 1S/C10H10O3/c1-2-3-6-10-8(12)5-4-7(11)9(10)13-10/h2,4-5,7-9,11-12H,1H2/t7-,8-,9+,10-/m0/s1
- InChI Key： KUAAHEXHZDTABU-QEYWKRMJSA-N
- SMILES： O1[C@@H]2[C@H](C=C[C@@H]([C@]12C#CC=C)O)O
Computed Properties
- Exact Mass: 178.062994177g/mol
- Monoisotopic Mass: 178.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 333
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 53?2
Speciosin L Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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