Cas no 16203-25-1 (1H-3a,6-Methanoazulene-3-carboxylicacid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-)
16203-25-1 structure
Product Name:1H-3a,6-Methanoazulene-3-carboxylicacid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-
CAS No:16203-25-1
MF:C15H22O2
MW:234.333984851837
CID:168193
PubChem ID:21764437
Update Time:2025-04-19
1H-3a,6-Methanoazulene-3-carboxylicacid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-3a,6-Methanoazulene-3-carboxylicacid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-
- [3S-(3alpha,3aalpha,6alpha,8aalpha)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylic acid
- (+)-Zizanoic acid
- ,4,5,6β
- ,7,8,8aα-octahydro-7,7-dimethyl-8-methylene-
- [3S-(3α,3aα,6α,8aα)]-oc
- 1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, [3S-(3α,3aα,6α,8aα)]-
- 1H-3aα,6-Methanoazulene-3-carboxylic acid, 2,3β
- Khusenic acid
- Vetivenic acid
- Zizanoic acid
- Q27265607
- BRD-K27523296-001-01-6
- (3S-(3alpha,3aalpha,6alpha,8aalpha))-Octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-carboxylic acid
- SCHEMBL16982358
- EINECS 240-332-5
- 6W12127I74
- ACon0_000543
- 1H-3A,6-METHANOAZULENE-3-CARBOXYLIC ACID, OCTAHYDRO-7,7-DIMETHYL-8-METHYLENE-, (3S-(3.ALPHA.,3A.ALPHA.,6.ALPHA.,8A.ALPHA.))-
- J14.140B
- 16203-25-1
- [3S-(3alpha,3aalpha,6alpha,8aalpha)]-octahydro-7,7-dimethyl-8-methylene-1H-3a,6-methanoazulene-3-car
- ACon1_002030
- (3S)-2,3,4,5,6,7,8,8A.ALPHA.-OCTAHYDRO-7,7-DIMETHYL-8-METHYLENE-1H-3A.ALPHA.,6.ALPHA.-METHANOAZULENE-3.ALPHA.-CARBOXYLIC ACID
- (1R,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid
- 7,7-DIMETHYL-6-METHYLENETRICYCLO(6.2.1.0(SUP 1,5))UNDECANE-2-CARBOXYLIC ACID
- Zizaens?ure; Zizanoicacid
- NCGC00179899-02
- 7,7-Dimethyl-6-methylidenetricyclo[6.2.1.0^1,5^]undecane-2-carboxylic acid
- CHEBI:181165
- MEGxp0_001824
- 7,7-dimethyl-8-methylideneoctahydro-1h-3a,6-methanoazulene-3-carboxylic acid
- (3S)-2,3,4,5,6,7,8,8Aalpha-OCTAHYDRO-7,7-DIMETHYL-8-METHYLENE-1H-3Aalpha,6alpha-METHANOAZULENE-3alpha-CARBOXYLIC ACID
- 1H-3A,6-METHANOAZULENE-3-CARBOXYLIC ACID, OCTAHYDRO-7,7-DIMETHYL-8-METHYLENE-
- AKOS040735640
- 1H-3aalpha,6-Methanoazulene-3-carboxylic acid, 2,3beta,4,5,6beta,7,8,8aalpha-octahydro-7,7-dimethyl-8-methylene-
- 1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, (3S-(3alpha,3aalpha,6alpha,8aalpha))-
- 1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-
- NCGC00179899-02_C15H22O2_1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)-
- 1H-3a.alpha.,6-Methanoazulene-3-carboxylic acid, 2,3.beta.,4,5,6.beta.,7,8,8a.alpha.-octahydro-7,7-dimethyl-8-methylene-
- (3S,3aR,6R,8aS)-7,7-Dimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene-3-carboxylic acid
- UNII-6W12127I74
- NCGC00179899-01
- SCHEMBL22946398
- DTXSID90936627
- NS00053908
- 1H-3a,6-Methanoazulene-3-carboxylic acid, octahydro-7,7-dimethyl-8-methylene-, [3S-(3.alpha.,3a.alpha.,6.alpha.,8a.alpha.)]-
- Epizizanoic acid
-
- Inchi： 1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,15-/m1/s1
- InChI Key： IJGMVUXEZUEDJR-RTWAVKEYSA-N
- SMILES： OC([C@H]1CC[C@@H]2C(=C)C(C)(C)[C@@H]3CC[C@@]21C3)=O
Computed Properties
- Exact Mass: 234.16206
- Monoisotopic Mass: 234.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 396
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 3.6
Experimental Properties
- Density: 1.1
- Boiling Point: 355.4°Cat760mmHg
- Flash Point: 169.2°C
- Refractive Index: 1.539
- PSA: 37.3
1H-3a,6-Methanoazulene-3-carboxylicacid, octahydro-7,7-dimethyl-8-methylene-, (3S,3aR,6R,8aS)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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