Cas no 136458-46-3 ((1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol)
![(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol structure](https://ossimg.kuujia.com/scimg/136500/136458-46-3x500.png)
136458-46-3 structure
Product Name:(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol
CAS No:136458-46-3
MF:C15H26O2
MW:238.365745067596
CID:1240692
PubChem ID:178327
Update Time:2025-04-20
(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol Chemical and Physical Properties
Names and Identifiers
-
- (1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol
- (1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulene-4,7-diol
- 136458-46-3
- (1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-Tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa(h)azulene-4,7-diol
-
- Inchi： 1S/C15H26O2/c1-13(2)9-5-7-14(3,16)10-6-8-15(4,17)12(10)11(9)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11-,12-,14+,15+/m1/s1
- InChI Key： DWNPMJOWAWGIMM-GFCMYALRSA-N
- SMILES： O[C@@]1(C)CC[C@@H]2[C@](C)(CC[C@H]3C(C)(C)[C@H]3[C@@H]21)O
Computed Properties
- Exact Mass: 238.19328
- Monoisotopic Mass: 238.19328
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 351
- 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: 40.5
- XLogP3: 2.3
Experimental Properties
- Density: 1.052
- Boiling Point: 314.4°C at 760 mmHg
- Flash Point: 138.1°C
- Refractive Index: 1.517
(1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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
136458-46-3 ((1aR,4S,4aS,7S,7aS,7bR)-1,1,4,7-tetramethyldecahydro-1H-cyclopropa[e]azulene-4,7-diol) Related Products
- 489-41-8(1H-Cycloprop[e]azulen-4-ol,decahydro-1,1,4,7-tetramethyl-, (1aR,4R,4aR,7R,7aS,7bS)-)
- 546-79-2(Sabinene Hydrate)
- 5986-49-2(Palustrol (Ledum))
- 88728-58-9(1H-Cycloprop[e]azulen-4-ol,decahydro-1,1,4,7-tetramethyl-, (1aR,4S,4aR,7R,7aS,7bS)-)
- 213769-80-3(6,8-Cyclo-1,4-eudesmanediol)
- 57576-29-1(9,19-Cyclolanostane-3,24,25-triol, (3b,24S)-)
- 57586-98-8(Cycloartane-3,24,25-triol)
- 70051-38-6(1H-Cycloprop[e]azulene-4,7-diol, decahydro-1,1,4,7-tetramethyl-,(1aR,4R,4aR,7S,7aS,7bR)-)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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