Cas no 13567-41-4 ((3R,3aR,5S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulen-5-ol)
(3R,3aR,5S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulen-5-ol is a sesquiterpene alcohol with a complex fused ring structure, featuring a methanoazulene core. Its stereochemistry is defined by the (3R,3aR,5S,8aS) configuration, ensuring high enantiomeric purity. The compound contains a hydroxyl group at the 5-position and a methylene moiety at the 6-position, contributing to its reactivity in synthetic applications. The rigid polycyclic framework enhances its stability, while the functional groups offer versatile modification sites for derivatization. This structure is of particular interest in fragrance chemistry due to its woody, amber-like olfactory properties, and in medicinal chemistry as a potential intermediate for bioactive molecule synthesis. Its well-defined stereocenters make it valuable for asymmetric synthesis and chiral resolution studies.
13567-41-4 structure
Product Name:(3R,3aR,5S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulen-5-ol
CAS No:13567-41-4
MF:C15H24O
MW:220.350464820862
CID:119734
PubChem ID:57647966
Update Time:2025-07-02
(3R,3aR,5S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulen-5-ol Chemical and Physical Properties
Names and Identifiers
-
- (3R,3aR,5S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulen-5-ol
- (+)-8(15)-Cedren-9-ol
- 1H-3a,7-Methanoazulen-5-ol,octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aR,5S,7R,8aS)-
- ()-8(15)-Cedren-9-ol
- (1R,2R,5S,7R,9S)-8-Methylene-2,6,6-trimethyltricyclo[5.3.1.01,5]undecan-9-ol
- 1H-3a,7-Methanoazulen-5-ol,octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3a,3ab,5b,7b,8aa)]-
- 22136_ALDRICH
- 22136_FLUKA
- AG-D-72904
- b-Cedren-9-ol
- Cedr-8(15)-en-9a-ol (8CI)
- CTK8F1441
- (1R,2R,5S,7R,9S)-8-METHYLENE-2,6,6-TRIMETHYLTRICYCLO[5.3.1.0(1.5)]UNDECAN-9-OL
- (1R,2R,5S,7S,9S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecan-9-ol
- DTXSID20474562
- (+)-8(15)-Cedren-9-ol, purum, >=98.0% (sum of enantiomers, GC)
- 13567-41-4
-
- MDL： MFCD00077685
- Inchi： 1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11-,12+,13+,15-/m1/s1
- InChI Key： DJYWGTBEZVORGE-GOGITYCRSA-N
- SMILES： O[C@@H]1C(=C)[C@H]2C[C@@]3(C1)[C@H](C)CC[C@H]3C2(C)C
Computed Properties
- Exact Mass: 220.18282
- Monoisotopic Mass: 220.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.6
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Color/Form: Not available
- Density: 1.022
- Melting Point: 128-130?°C
- Boiling Point: 289.053°C at 760 mmHg
- Flash Point: 120.901°C
- Refractive Index: 1.528
- PSA: 20.23
- LogP: 3.38580
- Optical Activity: [α]20/D +10±1°, c =?5% in chloroform
- Solubility: Not available
(3R,3aR,5S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulen-5-ol Security Information
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Safety Instruction： 22-24/25
- Storage Condition：2-8°C
(3R,3aR,5S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulen-5-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-227133-250 mg |
(+)-8(15)-Cedren-9-ol, |
13567-41-4 | 250MG |
￥1,008.00 | 2023-07-10 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-227133-250mg |
(+)-8(15)-Cedren-9-ol, |
13567-41-4 | 250mg |
￥1008.00 | 2023-09-05 |
(3R,3aR,5S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulen-5-ol Related Literature
-
Gang Cao,Hao Cai,Xiaodong Cong,Xiao Liu,Xiaoqing Ma,Yajing Lou,Kunming Qin,Baochang Cai Analyst 2012 137 3828
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