Cas no 121747-87-3 (1,3-Benzenediol,4-(2,3,6,7-tetrahydro-2,3,3-trimethyl-5H-furo[3,2-g][1]benzopyran-6-yl)- (9CI))
![1,3-Benzenediol,4-(2,3,6,7-tetrahydro-2,3,3-trimethyl-5H-furo[3,2-g][1]benzopyran-6-yl)- (9CI) structure](https://ossimg.kuujia.com/scimg/122000/121747-87-3x500.png)
121747-87-3 structure
Product Name:1,3-Benzenediol,4-(2,3,6,7-tetrahydro-2,3,3-trimethyl-5H-furo[3,2-g][1]benzopyran-6-yl)- (9CI)
CAS No:121747-87-3
MF:C20H22O4
MW:326.386286258698
CID:170081
Update Time:2024-03-01
1,3-Benzenediol,4-(2,3,6,7-tetrahydro-2,3,3-trimethyl-5H-furo[3,2-g][1]benzopyran-6-yl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediol,4-(2,3,6,7-tetrahydro-2,3,3-trimethyl-5H-furo[3,2-g][1]benzopyran-6-yl)- (9CI)
- (R)-(+)-Cyclomillinol
- 3R-(+)-Cyclomillinol
- 5H-Furo[3,2-g][1]benzopyran,1,3-benzenediol deriv.
- Cyclomillinol
- 1,3-Benzenediol, 4-(2,3,6,7-tetrahydro-2,3,3-trimethyl-5H-furo[3,2-g][1]benzopyran-6-yl)- (9CI)
- (3R)-2'',3''-Dihydro-2'',3'',3''-trimethyl-2',4'-dihydroxyfurano[4'',5'':6,7]isoflavan
-
- Inchi： 1S/C20H22O4/c1-11-20(2,3)16-7-12-6-13(10-23-18(12)9-19(16)24-11)15-5-4-14(21)8-17(15)22/h4-5,7-9,11,13,21-22H,6,10H2,1-3H3
- InChI Key： ANHPMZQXTAKLGG-UHFFFAOYSA-N
- SMILES： C1(O)=CC=C(C2CC3=CC4C(C)(C)C(C)OC=4C=C3OC2)C(O)=C1
Computed Properties
- Exact Mass: 272.08309
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- XLogP3: 2.177
Experimental Properties
- Density: 1.222±0.06 g/cm3(Predicted)
- Boiling Point: 480.7±45.0 °C(Predicted)
- PSA: 52.54
- pka: 9.67±0.40(Predicted)
1,3-Benzenediol,4-(2,3,6,7-tetrahydro-2,3,3-trimethyl-5H-furo[3,2-g][1]benzopyran-6-yl)- (9CI) Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
Related Categories
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavanols
- Solvents and Organic Chemicals Organic Compounds Phenylpropanoids and polyketides Isoflavonoids Isoflavans Isoflavanols
- Natural Products and Extracts Plant Extracts Plant based Endosamara racemosa
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