Cas no 64158-38-9 (Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one, tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2,5-dimethyl-5-(1-methylethyl)-2-furanyl]-, (3S,3aS,7aR,8aR,9S,11aR,11bR,11cR)- (9CI))
![Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one, tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2,5-dimethyl-5-(1-methylethyl)-2-furanyl]-, (3S,3aS,7aR,8aR,9S,11aR,11bR,11cR)- (9CI) structure](https://ossimg.kuujia.com/scimg/64500/64158-38-9x500.png)
64158-38-9 structure
Product Name:Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one, tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2,5-dimethyl-5-(1-methylethyl)-2-furanyl]-, (3S,3aS,7aR,8aR,9S,11aR,11bR,11cR)- (9CI)
CAS No:64158-38-9
MF:C31H50O3
MW:470.726910114288
CID:516553
Update Time:2024-03-01
Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one, tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2,5-dimethyl-5-(1-methylethyl)-2-furanyl]-, (3S,3aS,7aR,8aR,9S,11aR,11bR,11cR)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one,tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2,5-dimethyl-5-(1-methylethyl)-2-furanyl]-,(3S,3aS,7aR,8aR,9S,11aR,11bR,11cR)- (9CI)
- Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one,tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2
- Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one,tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2,5-dimethyl-5-(1-methylethyl)-2-furanyl]-,(3S,3aS,7aR,8aR,9S,11aR,11bR,11cR
- 3,4-Secodammar-4(28)-en-3-oicacid, 20,24-epoxy-11-hydroxy-24-methyl-, e-lactone, (11a,24R)-
- Alnuselide
- CID 101316867
- Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one, tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2,5-dimethyl-5-(1-methylethyl)-2-furanyl]-, (3S,3aS,7aR,8aR,9S,11aR,11bR,11cR)- (9CI)
-
- Inchi： 1S/C31H50O3/c1-19(2)21-10-15-29(7)26-24(33-25(32)12-13-27(21,26)5)18-23-22(11-14-28(23,29)6)31(9)17-16-30(8,34-31)20(3)4/h20-24,26H,1,10-18H2,2-9H3/t21-,22-,23+,24+,26+,27-,28+,29+,30+,31-/m0/s1
- InChI Key： WCTXMXRKCIJXTQ-DTRPASCXSA-N
- SMILES： O1C(CC[C@@]2(C)[C@H](C(=C)C)CC[C@]3(C)[C@@H]2[C@H]1C[C@@H]1[C@@H]([C@]2(C)CC[C@](C)(C(C)C)O2)CC[C@@]31C)=O
Computed Properties
- Exact Mass: 470.376
- Monoisotopic Mass: 470.376
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 34
- Rotatable Bond Count: 3
- Complexity: 878
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.5
Experimental Properties
- Density: 1.013±0.06 g/cm3(Predicted)
- Boiling Point: 542.7±50.0 °C(Predicted)
Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one, tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2,5-dimethyl-5-(1-methylethyl)-2-furanyl]-, (3S,3aS,7aR,8aR,9S,11aR,11bR,11cR)- (9CI) Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
64158-38-9 (Cyclopenta[3,4]naphth[1,8-bc]oxepin-6(2H)-one, tetradecahydro-3a,11a,11b-trimethyl-3-(1-methylethenyl)-9-[(2R,5R)-tetrahydro-2,5-dimethyl-5-(1-methylethyl)-2-furanyl]-, (3S,3aS,7aR,8aR,9S,11aR,11bR,11cR)- (9CI)) Related Products
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