Cas no 2629-14-3 (7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-aceticacid, 4-(3-furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-,methyl ester, (4S,4aS,7R,7aR,8R,11aS,12aS)-)
![7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-aceticacid, 4-(3-furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-,methyl ester, (4S,4aS,7R,7aR,8R,11aS,12aS)- structure](https://ossimg.kuujia.com/scimg/3000/2629-14-3x500.png)
2629-14-3 structure
Product Name:7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-aceticacid, 4-(3-furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-,methyl ester, (4S,4aS,7R,7aR,8R,11aS,12aS)-
CAS No:2629-14-3
MF:C27H34O7
MW:470.554668903351
CID:269851
PubChem ID:419676
Update Time:2025-04-19
7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-aceticacid, 4-(3-furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-,methyl ester, (4S,4aS,7R,7aR,8R,11aS,12aS)- Chemical and Physical Properties
Names and Identifiers
-
- 7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-aceticacid, 4-(3-furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-,methyl ester, (4S,4aS,7R,7aR,8R,11aS,12aS)-
- 7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-aceticacid, 4-(3-furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10
- METHYL ANGOLENSATE
- Angolensic acid methyl ester
- methyl angolansate
- Methyl angolensat
- ANGOLENSIC ACID, METHYL ESTER
- Methyl [4-(furan-3-yl)-4a,7a,9,9-tetramethyl-13-methylidene-2,10-dioxododecahydro-4H-7,12a-methanopyrano[4,3-b][1]benzoxocin-8-yl]acetate
- D-Homo-24-nor-17-oxa-6,7-secachola-7,20,22-triene-6-carboxylic acid, 1,14:21,23-diepoxy-4,4-dimethyl-3,16-dioxo-, methyl ester, (1alpha,5beta,13alpha,14beta,17aalpha)-
- 2629-14-3
- NSC-117177
- NSC 117177
- Methyl (1alpha,5beta,13alpha,14beta,17aalpha)-1,14:21,23-diepoxy-4,4-dimethyl-3,16-dioxo-D-homo-24-nor-17-oxa-6,7-secachola-7,20,22-triene-6-carboxylate
- NSC117177
- DTXSID90949151
- methyl angolensate
- ConMedNP.716
- ConMedNP.717
- ConMedNP.718
-
- Inchi： 1S/C27H34O7/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-20-12-19(28)24(2,3)18(26(17,20)5)11-21(29)31-6/h8,10,14,17-18,20,23H,1,7,9,11-13H2,2-6H3
- InChI Key： YNMYHRYTRCKSMI-UHFFFAOYSA-N
- SMILES： O1C2CC(C(C)(C)C(CC(=O)OC)C2(C)C2CCC3(C)C(C4=COC=C4)OC(CC13C2=C)=O)=O
Computed Properties
- Exact Mass: 470.23000
- Monoisotopic Mass: 470.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- Rotatable Bond Count: 4
- Complexity: 939
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 92?2
Experimental Properties
- Density: 1.23
- Boiling Point: 592.1°Cat760mmHg
- Flash Point: 311.9°C
- Refractive Index: 1.558
- PSA: 92.04000
- LogP: 4.56230
7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-aceticacid, 4-(3-furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-,methyl ester, (4S,4aS,7R,7aR,8R,11aS,12aS)- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
2629-14-3 (7,12a-Methano-2H,4H-pyrano[4,3-b][1]benzoxocin-8-aceticacid, 4-(3-furanyl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,10-dioxo-,methyl ester, (4S,4aS,7R,7aR,8R,11aS,12aS)-) Related Products
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