Cas no 83807-70-9 (Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)-)
83807-70-9 structure
Product Name:Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)-
CAS No:83807-70-9
MF:C22H32O3
MW:344.487687110901
CID:734160
PubChem ID:158578
Update Time:2025-04-19
Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)- Chemical and Physical Properties
Names and Identifiers
-
- Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)-
- DTXSID801003881
- Vinhaticyl acetate
- 83807-70-9
- Phenanthro(3,2-b)furan-4-methanol, 1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, acetate, (4R-(4alpha,4aalpha,6abeta,7alpha,11aalpha,11bbeta))-
- (4,7,11b-Trimethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydrophenanthro[3,2-b]furan-4-yl)methyl acetate
-
- Inchi: 1S/C22H32O3/c1-14-16-6-7-20-21(3,13-25-15(2)23)9-5-10-22(20,4)18(16)12-19-17(14)8-11-24-19/h8,11,14,16,18,20H,5-7,9-10,12-13H2,1-4H3/t14-,16+,18+,20+,21+,22-/m1/s1
- InChI Key: AJKLRWLLBORSIX-FMKAMBKWSA-N
- SMILES: O1C=CC2=C1C[C@H]1[C@H]([C@H]2C)CC[C@H]2[C@](C)(COC(C)=O)CCC[C@@]21C
Computed Properties
- Exact Mass: 344.235145
- Monoisotopic Mass: 344.235145
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 531
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 39.4
- XLogP3: 5.7
Experimental Properties
- Density: 1.032
- Boiling Point: 418.8°Cat760mmHg
- Flash Point: 175.2°C
- Refractive Index: 1.499
Phenanthro[3,2-b]furan-4-methanol,1,2,3,4,4a,5,6,6a,7,11,11a,11b-dodecahydro-4,7,11b-trimethyl-, 4-acetate,(4R,4aR,6aS,7R,11aS,11bR)- Related Literature
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1. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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